3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide

C20H20N2O3S2 — CID 27770474

IUPAC3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S2/c23-20(21-12-11-18-9-5-13-26-18)17-8-4-10-19(14-17)27(24,25)22-15-16-6-2-1-3-7-16/h1-10,13-14,22H,11-12,15H2,(H,21,23)
InChIKeyILWOMUVZGKYLRS-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.20
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide

3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 27770474) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID27770474
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S2/c23-20(21-12-11-18-9-5-13-26-18)17-8-4-10-19(14-17)27(24,25)22-15-16-6-2-1-3-7-16/h1-10,13-14,22H,11-12,15H2,(H,21,23)
InChIKeyILWOMUVZGKYLRS-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31282087
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-(2-phenylsulfanylethyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26444819
N-[2-[[3-(benzylsulfamoyl)benzoyl]amino]ethyl]-2-chlorobenzamide
CID 55659262
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
3-(benzylsulfamoyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2315122
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-N-cyclopropyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38253124
N-(3-aminobutyl)-3-(benzylsulfamoyl)benzamide;hydrochloride
CID 119497312
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55707237

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide (CID 27770474) is 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide is O=C(NCCc1cccs1)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is ILWOMUVZGKYLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c23-20(21-12-11-18-9-5-13-26-18)17-8-4-10-19(14-17)27(24,25)22-15-16-6-2-1-3-7-16/h1-10,13-14,22H,11-12,15H2,(H,21,23).
What are the key properties of 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide?
3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 400.53 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 27770474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).