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

C17H16ClNO2S — CID 2711464

IUPACN-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO2S/c1-12(20)14-5-3-7-16(9-14)19-17(21)11-22-10-13-4-2-6-15(18)8-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyPFVGVJOCEJEYHB-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.41
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 2711464) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
PubChem CID2711464
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC NameN-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO2S/c1-12(20)14-5-3-7-16(9-14)19-17(21)11-22-10-13-4-2-6-15(18)8-13/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyPFVGVJOCEJEYHB-UHFFFAOYSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 55532780
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56506682
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[(3-chlorophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 893713
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26123101

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide (CID 2711464) is N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide is CC(=O)c1cccc(NC(=O)CSCc2cccc(Cl)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is PFVGVJOCEJEYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c1-12(20)14-5-3-7-16(9-14)19-17(21)11-22-10-13-4-2-6-15(18)8-13/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 333.84 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2711464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).