2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

C16H16ClNOS — CID 47380839

IUPAC2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNOS/c1-20-15-8-4-13(5-9-15)11-18-16(19)10-12-2-6-14(17)7-3-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyNIBWYMDBZUDLAF-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.92
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 47380839) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID47380839
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCSc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNOS/c1-20-15-8-4-13(5-9-15)11-18-16(19)10-12-2-6-14(17)7-3-12/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyNIBWYMDBZUDLAF-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-methylsulfanylphenyl)acetamide
CID 139082262
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-(2,5-dichlorophenyl)-2-(4-methylsulfanylphenyl)acetamide
CID 41126402
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydroxyphenyl)acetamide
CID 113199023
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 166226019
2-(4-methylsulfanylphenyl)-N-prop-2-enylacetamide
CID 110771195

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 47380839) is 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide is CSc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is NIBWYMDBZUDLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-20-15-8-4-13(5-9-15)11-18-16(19)10-12-2-6-14(17)7-3-12/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 305.83 g/mol, XLogP of 3.92, 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-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 47380839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).