2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid

C13H18N2O5S — CID 61455045

IUPAC2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid
SMILESCCC(=O)Nc1cccc(NS(=O)(=O)C(C)C(=O)O)c1C
InChIInChI=1S/C13H18N2O5S/c1-4-12(16)14-10-6-5-7-11(8(10)2)15-21(19,20)9(3)13(17)18/h5-7,9,15H,4H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFOPIPTUDVFUFNT-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.56
Rot. Bonds6

About 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid

2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid (PubChem CID 61455045) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid
PubChem CID61455045
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid
SMILESCCC(=O)Nc1cccc(NS(=O)(=O)C(C)C(=O)O)c1C
InChIInChI=1S/C13H18N2O5S/c1-4-12(16)14-10-6-5-7-11(8(10)2)15-21(19,20)9(3)13(17)18/h5-7,9,15H,4H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyFOPIPTUDVFUFNT-UHFFFAOYSA-N
XLogP1.56
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]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

3-(1-carboxyethylsulfonylamino)-2-methylbenzoic acid
CID 61454859
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
CID 115916566
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
2-(aminomethyl)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 65229652
N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
CID 103930833
N-[3-[(3-methoxy-2-methylpropyl)amino]-2-methylphenyl]propanamide
CID 116501066
N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
CID 64993033
N-[2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115949978
3-chloro-2,2-dimethyl-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 63680386
N-[3-(acetylcarbamothioylamino)-2-methylphenyl]propanamide
CID 46760838

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid (CID 61455045) is 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid is CCC(=O)Nc1cccc(NS(=O)(=O)C(C)C(=O)O)c1C.
What is the InChIKey of 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid?
The InChIKey is FOPIPTUDVFUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-4-12(16)14-10-6-5-7-11(8(10)2)15-21(19,20)9(3)13(17)18/h5-7,9,15H,4H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid?
2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid has a molecular weight of 314.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61455045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).