AC1NMEI6

N-(1,1-dioxothiolan-3-yl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Also Known As: N-(1,1-dioxidotetrahydro-3-thienyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|N-(1,1-Dioxidotetrahydrothiophen-3-yl)-2-(4-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide|N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-{[(4-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|N-(1,1-dioxothiolan-3-yl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|N-(1,1-dioxothiolan-3-yl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide

Molecular Formula	C20H21N3O6S2
Molecular Weight	463.0872 g/mol
LogP	2.7043
Topological Polar Surface Area	135.48 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	463.0872
Monoisotopic Mass	463.0872
Heavy Atoms	31
Complexity	1154.323

Chemical Identifiers

CAS Number	618079-12-2
SMILES	C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4CCS(=O)(=O)C4