2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid

C16H22N2O5S — CID 119223890

IUPAC2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)O
InChIInChI=1S/C16H22N2O5S/c1-2-14(16(20)21)17-15(19)11-6-5-9-13(10-11)24(22,23)18-12-7-3-4-8-12/h5-6,9-10,12,14,18H,2-4,7-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyQFCBZYPWDMMSDV-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.50
Rot. Bonds7

About 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid

2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid (PubChem CID 119223890) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
PubChem CID119223890
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)O
InChIInChI=1S/C16H22N2O5S/c1-2-14(16(20)21)17-15(19)11-6-5-9-13(10-11)24(22,23)18-12-7-3-4-8-12/h5-6,9-10,12,14,18H,2-4,7-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyQFCBZYPWDMMSDV-UHFFFAOYSA-N
XLogP1.50
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-(1-amino-4-methylpentan-2-yl)-3-(cyclopentylsulfamoyl)benzamide
CID 119585530
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249979
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
N-[1-(3-chlorophenyl)ethyl]-3-(cyclopentylsulfamoyl)benzamide
CID 46671519
3-(cyclohexylsulfamoyl)-N-(2-ethylphenyl)benzamide
CID 109063388
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid (CID 119223890) is 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid is CCC(NC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid?
The InChIKey is QFCBZYPWDMMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-2-14(16(20)21)17-15(19)11-6-5-9-13(10-11)24(22,23)18-12-7-3-4-8-12/h5-6,9-10,12,14,18H,2-4,7-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid?
2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid has a molecular weight of 354.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopentylsulfamoyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 119223890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).