(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide

C14H22N2O3S — CID 7730689

IUPAC(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-13(14(17)15-10(2)3)16-20(18,19)12-8-6-11(4)7-9-12/h6-10,13,16H,5H2,1-4H3,(H,15,17)/t13-/m0/s1
InChIKeyOAASSZIAFFBGGA-ZDUSSCGKSA-N
MW298.41 g/mol
LogP1.58
Rot. Bonds6

About (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide

(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide (PubChem CID 7730689) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
PubChem CID7730689
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
SMILESCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(C)C
InChIInChI=1S/C14H22N2O3S/c1-5-13(14(17)15-10(2)3)16-20(18,19)12-8-6-11(4)7-9-12/h6-10,13,16H,5H2,1-4H3,(H,15,17)/t13-/m0/s1
InChIKeyOAASSZIAFFBGGA-ZDUSSCGKSA-N
XLogP1.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide 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-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187
N-heptyl-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 4624697
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
2-[(4-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)butanamide
CID 110496340
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 8897361
3-methoxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 81078841
(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]butanamide
CID 110499244
2-[[5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-[(2-methylpropan-2-yl)oxy]pentanoyl]amino]-3-methylpentanoic acid
CID 123844541
4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 27241664

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide (CID 7730689) is (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide is CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NC(C)C.
What is the InChIKey of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide?
The InChIKey is OAASSZIAFFBGGA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-13(14(17)15-10(2)3)16-20(18,19)12-8-6-11(4)7-9-12/h6-10,13,16H,5H2,1-4H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide?
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide has a molecular weight of 298.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide is sourced from PubChem (CID 7730689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).