2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid

C14H20N2O4S — CID 60838327

IUPAC2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid
SMILESCNS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-15-21(19,20)13-8-6-12(7-9-13)16(10-14(17)18)11-4-2-3-5-11/h6-9,11,15H,2-5,10H2,1H3,(H,17,18)
InChIKeyBRMBFSHSOLFWSC-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.43
Rot. Bonds6

About 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid

2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid (PubChem CID 60838327) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid
PubChem CID60838327
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid
SMILESCNS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-15-21(19,20)13-8-6-12(7-9-13)16(10-14(17)18)11-4-2-3-5-11/h6-9,11,15H,2-5,10H2,1H3,(H,17,18)
InChIKeyBRMBFSHSOLFWSC-UHFFFAOYSA-N
XLogP1.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
CID 60840698
2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid
CID 60838152
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-(N-cyclopentyl-4-nitroanilino)acetic acid
CID 60838150
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-(3-chloro-N-cyclopentylanilino)acetic acid
CID 60833680
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
N-cyclohexyl-N-methyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51191477
3-(N-cyclopropyl-4-propylsulfonylanilino)propanoic acid
CID 60829331
2-(4-chloro-N-(4-ethylcycloheptyl)anilino)acetic acid
CID 65087089
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
2-(4-chloro-N-(1-ethylazepan-4-yl)anilino)acetic acid
CID 65076537

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid (CID 60838327) is 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid is CNS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1.
What is the InChIKey of 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid?
The InChIKey is BRMBFSHSOLFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-15-21(19,20)13-8-6-12(7-9-13)16(10-14(17)18)11-4-2-3-5-11/h6-9,11,15H,2-5,10H2,1H3,(H,17,18).
What are the key properties of 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid?
2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 60838327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).