N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide

C16H15N3O3S2 — CID 25044635

IUPACN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide
SMILESN#Cc1c(NC(=O)c2cccc(S(N)(=O)=O)c2)sc2c1CCCC2
InChIInChI=1S/C16H15N3O3S2/c17-9-13-12-6-1-2-7-14(12)23-16(13)19-15(20)10-4-3-5-11(8-10)24(18,21)22/h3-5,8H,1-2,6-7H2,(H,19,20)(H2,18,21,22)
InChIKeyHUVFATWFTOVIPD-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.40
Rot. Bonds3

About N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide (PubChem CID 25044635) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide
PubChem CID25044635
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide
SMILESN#Cc1c(NC(=O)c2cccc(S(N)(=O)=O)c2)sc2c1CCCC2
InChIInChI=1S/C16H15N3O3S2/c17-9-13-12-6-1-2-7-14(12)23-16(13)19-15(20)10-4-3-5-11(8-10)24(18,21)22/h3-5,8H,1-2,6-7H2,(H,19,20)(H2,18,21,22)
InChIKeyHUVFATWFTOVIPD-UHFFFAOYSA-N
XLogP2.40
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-fluorobenzamide
CID 903396
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbenzamide
CID 903587
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-iodobenzamide
CID 3353734
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(difluoromethoxy)benzamide
CID 3461304
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methoxybenzamide
CID 962467
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274886
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 61116925
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-fluorobenzamide;N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylbenzamide;methane
CID 159224001

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide (CID 25044635) is N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide is N#Cc1c(NC(=O)c2cccc(S(N)(=O)=O)c2)sc2c1CCCC2.
What is the InChIKey of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide?
The InChIKey is HUVFATWFTOVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c17-9-13-12-6-1-2-7-14(12)23-16(13)19-15(20)10-4-3-5-11(8-10)24(18,21)22/h3-5,8H,1-2,6-7H2,(H,19,20)(H2,18,21,22).
What are the key properties of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide?
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 25044635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).