2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

C14H18ClNO3S — CID 64635525

IUPAC2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CS(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H18ClNO3S/c1-9(2)14(10(3)17)16-13(18)8-20(19)12-6-4-11(15)5-7-12/h4-7,9,14H,8H2,1-3H3,(H,16,18)
InChIKeyZVUBLSGUWMUPFD-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.18
Rot. Bonds6

About 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 64635525) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID64635525
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CS(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C14H18ClNO3S/c1-9(2)14(10(3)17)16-13(18)8-20(19)12-6-4-11(15)5-7-12/h4-7,9,14H,8H2,1-3H3,(H,16,18)
InChIKeyZVUBLSGUWMUPFD-UHFFFAOYSA-N
XLogP2.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide 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-methoxyphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64638639
2-(2,4-dimethylphenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64637809
2-[(S)-(4-chlorophenyl)sulfinyl]acetic acid
CID 13092891
2-butylsulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 64640143
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 51306507
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
methyl 2-acetamido-3-(4-chlorophenyl)sulfinylpropanoate
CID 65474608
2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 54909730
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987
2-(2-hydroxyphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62000136
2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 78860764
(2R)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methylbutanoic acid
CID 119369259

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 64635525) is 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CS(=O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is ZVUBLSGUWMUPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-9(2)14(10(3)17)16-13(18)8-20(19)12-6-4-11(15)5-7-12/h4-7,9,14H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 315.82 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 64635525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).