2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide

C17H18ClNO2S — CID 1471344

IUPAC2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide
SMILESCc1ccc(S(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-13-2-8-16(9-3-13)22(21)11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCAWUIBDEFXOHDD-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.11
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide

2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide (PubChem CID 1471344) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide
PubChem CID1471344
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC Name2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide
SMILESCc1ccc(S(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2S/c1-13-2-8-16(9-3-13)22(21)11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyCAWUIBDEFXOHDD-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide (CID 1471344) is 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide is Cc1ccc(S(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide?
The InChIKey is CAWUIBDEFXOHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-13-2-8-16(9-3-13)22(21)11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(4-methylphenyl)sulfinylethyl]acetamide is sourced from PubChem (CID 1471344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).