2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid

C14H19NO4S — CID 60840698

IUPAC2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
SMILESCS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(18,19)13-8-6-12(7-9-13)15(10-14(16)17)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,17)
InChIKeyREWPEUSBEHMHOF-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.92
Rot. Bonds5

About 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid

2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid (PubChem CID 60840698) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
PubChem CID60840698
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
SMILESCS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C14H19NO4S/c1-20(18,19)13-8-6-12(7-9-13)15(10-14(16)17)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,17)
InChIKeyREWPEUSBEHMHOF-UHFFFAOYSA-N
XLogP1.92
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid
CID 60838152
2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid
CID 60838327
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
N-(2-chloroethyl)-N-cyclopentyl-4-methylsulfonylaniline
CID 63388693
2-(N-cyclopentyl-4-nitroanilino)acetic acid
CID 60838150
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
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
2-(3-chloro-N-cyclopentylanilino)acetic acid
CID 60833680
2-[N-[2-(dimethylamino)ethyl]-4-methylsulfonylanilino]acetic acid
CID 107424920

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid?
The IUPAC name of 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid (CID 60840698) is 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid is CS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1.
What is the InChIKey of 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid?
The InChIKey is REWPEUSBEHMHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-20(18,19)13-8-6-12(7-9-13)15(10-14(16)17)11-4-2-3-5-11/h6-9,11H,2-5,10H2,1H3,(H,16,17).
What are the key properties of 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid?
2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid has a molecular weight of 297.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid is sourced from PubChem (CID 60840698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).