2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid

C15H20N2O5S — CID 119199013

IUPAC2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O
InChIInChI=1S/C15H20N2O5S/c1-3-15(2,14(19)20)16-13(18)10-4-8-12(9-5-10)23(21,22)17-11-6-7-11/h4-5,8-9,11,17H,3,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMOHWTYZOQPMLMG-UHFFFAOYSA-N
MW340.40 g/mol
LogP1.11
Rot. Bonds7

About 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid

2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid (PubChem CID 119199013) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
PubChem CID119199013
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O
InChIInChI=1S/C15H20N2O5S/c1-3-15(2,14(19)20)16-13(18)10-4-8-12(9-5-10)23(21,22)17-11-6-7-11/h4-5,8-9,11,17H,3,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyMOHWTYZOQPMLMG-UHFFFAOYSA-N
XLogP1.11
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic 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-(aminomethyl)pentan-3-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 119570566
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 119607469
N-(2-amino-2-methylpropyl)-4-(cyclopropylsulfamoyl)benzamide
CID 119628503
2-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119199358
4-(cyclopropylsulfamoyl)-N-[2-(diethylamino)propyl]benzamide
CID 46433043
2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]butanoic acid
CID 120518474
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
CID 46533931
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
N-[2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508335
N-[2-[(2R)-butan-2-yl]phenyl]-4-(cyclopropylsulfamoyl)benzamide
CID 40819169

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid (CID 119199013) is 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O.
What is the InChIKey of 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid?
The InChIKey is MOHWTYZOQPMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-3-15(2,14(19)20)16-13(18)10-4-8-12(9-5-10)23(21,22)17-11-6-7-11/h4-5,8-9,11,17H,3,6-7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid?
2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid has a molecular weight of 340.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 119199013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).