2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide

C20H16ClNOS — CID 2225862

IUPAC2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-16-12-10-15(11-13-16)14-20(23)22-18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyHHTRYBGRJCWQTR-UHFFFAOYSA-N
MW353.87 g/mol
LogP5.67
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2225862) has the molecular formula C20H16ClNOS and a molecular weight of 353.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2225862
Molecular FormulaC20H16ClNOS
Molecular Weight353.87 g/mol
Exact Mass353.06
IUPAC Name2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H16ClNOS/c21-16-12-10-15(11-13-16)14-20(23)22-18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyHHTRYBGRJCWQTR-UHFFFAOYSA-N
XLogP5.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.87
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)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-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide (CID 2225862) is 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is HHTRYBGRJCWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNOS/c21-16-12-10-15(11-13-16)14-20(23)22-18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-chlorophenyl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 353.87 g/mol, XLogP of 5.67, 5 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-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2225862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).