2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid

C15H20N2O5S — CID 119350138

IUPAC2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)O)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H20N2O5S/c1-10-6-7-11(15(20)16-9-14(18)19)8-13(10)23(21,22)17-12-4-2-3-5-12/h6-8,12,17H,2-5,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyNHALDBSXRPWUAP-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.03
Rot. Bonds6

About 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid

2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid (PubChem CID 119350138) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
PubChem CID119350138
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
SMILESCc1ccc(C(=O)NCC(=O)O)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C15H20N2O5S/c1-10-6-7-11(15(20)16-9-14(18)19)8-13(10)23(21,22)17-12-4-2-3-5-12/h6-8,12,17H,2-5,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyNHALDBSXRPWUAP-UHFFFAOYSA-N
XLogP1.03
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022
3-(cyclopentylsulfamoyl)-N-[(2R)-2-(ethylamino)propyl]-4-methylbenzamide;hydrochloride
CID 120651468
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 119570340
N-[2-(aminomethyl)cyclohexyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide;hydrochloride
CID 119610853
2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1356115
N-[[3-(cyclopentylsulfamoyl)-4-methylphenyl]methyl]acetamide
CID 122191046
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(cyclopentylsulfamoyl)-4-methylbenzamide
CID 154840886
N-(1-aminopropan-2-yl)-3-(cyclopentylsulfamoyl)-N,4-dimethylbenzamide
CID 119583234
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574596
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43317213

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid (CID 119350138) is 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid is Cc1ccc(C(=O)NCC(=O)O)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid?
The InChIKey is NHALDBSXRPWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10-6-7-11(15(20)16-9-14(18)19)8-13(10)23(21,22)17-12-4-2-3-5-12/h6-8,12,17H,2-5,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid?
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid has a molecular weight of 340.40 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid is sourced from PubChem (CID 119350138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).