N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

C17H16N2O3S2 — CID 9438056

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O3S2/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,11H,9-10H2,(H,19,20)(H2,18,21,22)
InChIKeyPCAQPYAFDPGOTK-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 9438056) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID9438056
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O3S2/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,11H,9-10H2,(H,19,20)(H2,18,21,22)
InChIKeyPCAQPYAFDPGOTK-UHFFFAOYSA-N
XLogP2.52
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 166633564
N-[2-(4-sulfamoylphenyl)ethyl]-2-sulfanylbenzamide
CID 23645370
N-[1-[[(2R)-1-oxo-3-phenyl-1-[3-(4-sulfamoylpiperazin-1-yl)propylamino]propan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 23626110
N,N,5,7-tetramethyl-3-(4-(2-(3-tosylureido)ethyl)phenyl)benzo[b]thiophene-2-carboxamide
CID 50898361
N,5,7-trimethyl-3-(4-(2-(3-tosylureido)ethyl)phenyl)benzo[b]thiophene-2-carboxamide
CID 53319234
5,7-difluoro-N,N-dimethyl-3-(4-(2-(3-tosylureido)ethyl)phenyl)benzo[b]thiophene-2-carboxamide
CID 53320542
N,N,4,7-tetramethyl-3-(4-(2-(3-tosylureido)ethyl)phenyl)benzo[b]thiophene-2-carboxamide
CID 53320543
N-(4-(5,7-dimethyl-2-(pyrrolidine-1-carbonyl)benzo[b]thiophen-3-yl)phenethylcarbamoyl)-4-methylbenzenesulfonamide
CID 53323010
N-[4-[[(1R)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734031
N-[4-[[(1S)-4-ethynylcyclohex-3-en-1-yl]-propylamino]butyl]-1-benzothiophene-2-carboxamide
CID 71734129
N-(3-methylbutyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 6620252
2-Methylsulfanyl-N-{2-[4-(piperidine-1-sulfonyl)-phenyl]-ethyl}-benzamide
CID 1072632

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 9438056) is N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is PCAQPYAFDPGOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c18-24(21,22)14-7-5-12(6-8-14)9-10-19-17(20)16-11-13-3-1-2-4-15(13)23-16/h1-8,11H,9-10H2,(H,19,20)(H2,18,21,22).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 9438056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).