2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide

C14H21ClN2O3S — CID 60938421

IUPAC2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-10(11-4-6-12(15)7-5-11)17(2)14(18)13(16)8-9-21(3,19)20/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyCMVONWMZFWQNQK-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.62
Rot. Bonds6

About 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide

2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide (PubChem CID 60938421) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
PubChem CID60938421
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-10(11-4-6-12(15)7-5-11)17(2)14(18)13(16)8-9-21(3,19)20/h4-7,10,13H,8-9,16H2,1-3H3
InChIKeyCMVONWMZFWQNQK-UHFFFAOYSA-N
XLogP1.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-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

2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
2-amino-N-[1-(4-chlorophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 62474124
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
(2R)-2-amino-N-[1-(4-chlorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 103929186
2-amino-1-(4-chlorophenyl)-4-methylsulfonylbutan-1-one
CID 116551933
3-amino-N-[1-(4-chlorophenyl)ethyl]-3-hydroxyimino-N,2-dimethylpropanamide
CID 76979825
2-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]propanoic acid
CID 62638917
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide (CID 60938421) is 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide is CC(c1ccc(Cl)cc1)N(C)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is CMVONWMZFWQNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10(11-4-6-12(15)7-5-11)17(2)14(18)13(16)8-9-21(3,19)20/h4-7,10,13H,8-9,16H2,1-3H3.
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 332.85 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 60938421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).