(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide

C14H21N3O3S — CID 61252074

IUPAC(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-9(2)13(15)14(18)16-10-5-7-12(8-6-10)21(19,20)17-11-3-4-11/h5-9,11,13,17H,3-4,15H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyVRSLJYSGIPCWDP-ZDUSSCGKSA-N
MW311.41 g/mol
LogP1.05
Rot. Bonds6

About (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide

(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide (PubChem CID 61252074) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
PubChem CID61252074
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-9(2)13(15)14(18)16-10-5-7-12(8-6-10)21(19,20)17-11-3-4-11/h5-9,11,13,17H,3-4,15H2,1-2H3,(H,16,18)/t13-/m0/s1
InChIKeyVRSLJYSGIPCWDP-ZDUSSCGKSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide 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

(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-2-methoxypropanamide
CID 124730678
(2S)-N-[4-(cyclopentylsulfamoyl)phenyl]-3-methoxy-2-methylpropanamide
CID 124843343
2,2-dichloro-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 2228727
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-[(1-amino-4-methylpentan-3-yl)amino]-N-cyclopropylbenzenesulfonamide
CID 106357515
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 2973953
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide (CID 61252074) is (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide?
The InChIKey is VRSLJYSGIPCWDP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9(2)13(15)14(18)16-10-5-7-12(8-6-10)21(19,20)17-11-3-4-11/h5-9,11,13,17H,3-4,15H2,1-2H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide?
(2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide has a molecular weight of 311.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(cyclopropylsulfamoyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 61252074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).