N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide

C13H19N3O4S — CID 43109034

IUPACN-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C13H19N3O4S/c1-9(17)15-10-3-5-11(6-4-10)16-13(18)12(14)7-8-21(2,19)20/h3-6,12H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUMSMDDAZLZGEFE-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.35
Rot. Bonds6

About N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide

N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide (PubChem CID 43109034) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
PubChem CID43109034
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1
InChIInChI=1S/C13H19N3O4S/c1-9(17)15-10-3-5-11(6-4-10)16-13(18)12(14)7-8-21(2,19)20/h3-6,12H,7-8,14H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUMSMDDAZLZGEFE-UHFFFAOYSA-N
XLogP0.35
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide 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

4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
2-amino-4-methylsulfonyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 43123167
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonylbutanamide
CID 119956272
2-amino-N-(3-iodophenyl)-4-methylsulfonylbutanamide
CID 43124627
(2R)-2-amino-N-[6-(dimethylamino)-3-pyridinyl]-4-methylsulfonylbutanamide
CID 146149113
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylbutanamide
CID 43101935
2-amino-4-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 43620690

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide (CID 43109034) is N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide is CC(=O)Nc1ccc(NC(=O)C(N)CCS(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide?
The InChIKey is UMSMDDAZLZGEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9(17)15-10-3-5-11(6-4-10)16-13(18)12(14)7-8-21(2,19)20/h3-6,12H,7-8,14H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide?
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide has a molecular weight of 313.38 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide is sourced from PubChem (CID 43109034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).