2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide

C21H18ClNOS — CID 1296454

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNOS/c22-18-10-6-7-16(13-18)14-25-15-21(24)23-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-13H,14-15H2,(H,23,24)
InChIKeyZRTRWZQCWRPOOK-UHFFFAOYSA-N
MW367.90 g/mol
LogP5.88
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 1296454) has the molecular formula C21H18ClNOS and a molecular weight of 367.90 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID1296454
Molecular FormulaC21H18ClNOS
Molecular Weight367.90 g/mol
Exact Mass367.08
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CSCc1cccc(Cl)c1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H18ClNOS/c22-18-10-6-7-16(13-18)14-25-15-21(24)23-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-13H,14-15H2,(H,23,24)
InChIKeyZRTRWZQCWRPOOK-UHFFFAOYSA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.90
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide (CID 1296454) is 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide is O=C(CSCc1cccc(Cl)c1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is ZRTRWZQCWRPOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNOS/c22-18-10-6-7-16(13-18)14-25-15-21(24)23-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-13H,14-15H2,(H,23,24).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 367.90 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 1296454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).