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

C15H21NO4S — CID 60838152

IUPAC2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid
SMILESCCS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-2-21(19,20)14-9-7-13(8-10-14)16(11-15(17)18)12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,18)
InChIKeyGBAWXCLJNDITAJ-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.31
Rot. Bonds6

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

2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid (PubChem CID 60838152) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid
PubChem CID60838152
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid
SMILESCCS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1
InChIInChI=1S/C15H21NO4S/c1-2-21(19,20)14-9-7-13(8-10-14)16(11-15(17)18)12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,18)
InChIKeyGBAWXCLJNDITAJ-UHFFFAOYSA-N
XLogP2.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-cyclopentyl-4-methylsulfonylanilino)acetic acid
CID 60840698
2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid
CID 60838327
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457
2-(N-cyclopentyl-4-nitroanilino)acetic acid
CID 60838150
3-(N-cyclopropyl-4-propylsulfonylanilino)propanoic acid
CID 60829331
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-(4-chloro-N-(4-ethylcycloheptyl)anilino)acetic acid
CID 65087089
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
2-(4-chloro-N-(1-ethylazepan-4-yl)anilino)acetic acid
CID 65076537
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
2-[(4-ethylsulfonylphenyl)methyl-methylamino]acetic acid
CID 98018398
2-(N-butyl-4-ethylsulfonylanilino)acetic acid
CID 18972370

Frequently Asked Questions

What is the IUPAC name of 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid?
The IUPAC name of 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid (CID 60838152) is 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid is CCS(=O)(=O)c1ccc(N(CC(=O)O)C2CCCC2)cc1.
What is the InChIKey of 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid?
The InChIKey is GBAWXCLJNDITAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-2-21(19,20)14-9-7-13(8-10-14)16(11-15(17)18)12-5-3-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,17,18).
What are the key properties of 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid?
2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid has a molecular weight of 311.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-cyclopentyl-4-ethylsulfonylanilino)acetic acid is sourced from PubChem (CID 60838152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).