2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid

C16H22N2O5S — CID 119203491

IUPAC2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C2CC2)C(C)C(=O)O)c1
InChIInChI=1S/C16H22N2O5S/c1-3-9-24(22,23)17-13-6-4-5-12(10-13)15(19)18(14-7-8-14)11(2)16(20)21/h4-6,10-11,14,17H,3,7-9H2,1-2H3,(H,20,21)
InChIKeyIWWRSZRLBISAIB-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.92
Rot. Bonds8

About 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid

2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid (PubChem CID 119203491) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid
PubChem CID119203491
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C2CC2)C(C)C(=O)O)c1
InChIInChI=1S/C16H22N2O5S/c1-3-9-24(22,23)17-13-6-4-5-12(10-13)15(19)18(14-7-8-14)11(2)16(20)21/h4-6,10-11,14,17H,3,7-9H2,1-2H3,(H,20,21)
InChIKeyIWWRSZRLBISAIB-UHFFFAOYSA-N
XLogP1.92
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]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

N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
2-[cyclopropyl-(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 119202183
N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94822193
N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
CID 46605709
N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 36715347
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 134019044
2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119202865
1-[[[3-(propylsulfonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544395
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]propane-1-sulfonamide
CID 119380877
3-(octylsulfonylamino)benzoic acid
CID 152726076

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid (CID 119203491) is 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid is CCCS(=O)(=O)Nc1cccc(C(=O)N(C2CC2)C(C)C(=O)O)c1.
What is the InChIKey of 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid?
The InChIKey is IWWRSZRLBISAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-3-9-24(22,23)17-13-6-4-5-12(10-13)15(19)18(14-7-8-14)11(2)16(20)21/h4-6,10-11,14,17H,3,7-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid?
2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid has a molecular weight of 354.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(propylsulfonylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119203491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).