2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid

C15H20N2O5S — CID 138033236

IUPAC2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid
SMILESNS(=O)(=O)Cc1cccc(NC(=O)C(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)9-10-4-3-7-12(8-10)17-14(18)13(15(19)20)11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyLHTXERSPXXCPRP-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.30
Rot. Bonds6

About 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid

2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid (PubChem CID 138033236) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid
PubChem CID138033236
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid
SMILESNS(=O)(=O)Cc1cccc(NC(=O)C(C(=O)O)C2CCCC2)c1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)9-10-4-3-7-12(8-10)17-14(18)13(15(19)20)11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,17,18)(H,19,20)(H2,16,21,22)
InChIKeyLHTXERSPXXCPRP-UHFFFAOYSA-N
XLogP1.30
TPSA126.56 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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119324202
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
methyl (2R)-3-(3-bromoanilino)-2-cyclopentyl-3-oxopropanoate
CID 1331267
(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 124505456
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 86865204
N-[3-(sulfamoylmethyl)phenyl]thiophene-2-carboxamide
CID 86865208
5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
2-cyclohexyl-3-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]anilino]-3-oxopropanoic acid
CID 169308158
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid?
The IUPAC name of 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid (CID 138033236) is 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid.
What is the SMILES notation for 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid?
The canonical SMILES for 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid is NS(=O)(=O)Cc1cccc(NC(=O)C(C(=O)O)C2CCCC2)c1.
What is the InChIKey of 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid?
The InChIKey is LHTXERSPXXCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c16-23(21,22)9-10-4-3-7-12(8-10)17-14(18)13(15(19)20)11-5-1-2-6-11/h3-4,7-8,11,13H,1-2,5-6,9H2,(H,17,18)(H,19,20)(H2,16,21,22).
What are the key properties of 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid?
2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid is sourced from PubChem (CID 138033236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).