3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide

C11H15ClN2OS — CID 119772469

IUPAC3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CC(C)N)cc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-7(13)5-11(15)14-8-3-4-10(16-2)9(12)6-8/h3-4,6-7H,5,13H2,1-2H3,(H,14,15)
InChIKeyBBEVCZLXKHWXNE-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide

3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide (PubChem CID 119772469) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
PubChem CID119772469
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide
SMILESCSc1ccc(NC(=O)CC(C)N)cc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-7(13)5-11(15)14-8-3-4-10(16-2)9(12)6-8/h3-4,6-7H,5,13H2,1-2H3,(H,14,15)
InChIKeyBBEVCZLXKHWXNE-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide 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-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458
3-amino-N-(3-ethyl-4-methylphenyl)butanamide
CID 120874215

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide?
The IUPAC name of 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide (CID 119772469) is 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide is CSc1ccc(NC(=O)CC(C)N)cc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide?
The InChIKey is BBEVCZLXKHWXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7(13)5-11(15)14-8-3-4-10(16-2)9(12)6-8/h3-4,6-7H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide?
3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide has a molecular weight of 258.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 119772469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).