2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide

C16H16ClNOS — CID 54454820

IUPAC2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide
SMILESCC(SCC(N)=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-11(20-10-16(18)19)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3,(H2,18,19)
InChIKeyWXLIUJBKQHJPTR-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.29
Rot. Bonds5

About 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide

2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide (PubChem CID 54454820) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide
PubChem CID54454820
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide
SMILESCC(SCC(N)=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNOS/c1-11(20-10-16(18)19)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3,(H2,18,19)
InChIKeyWXLIUJBKQHJPTR-UHFFFAOYSA-N
XLogP4.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide?
The IUPAC name of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide (CID 54454820) is 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide.
What is the SMILES notation for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide?
The canonical SMILES for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide is CC(SCC(N)=O)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide?
The InChIKey is WXLIUJBKQHJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11(20-10-16(18)19)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3,(H2,18,19).
What are the key properties of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide?
2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide has a molecular weight of 305.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide is sourced from PubChem (CID 54454820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).