2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

C16H16ClNO2S — CID 894454

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11-3-8-15(20-2)14(9-11)18-16(19)10-21-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVYTNBPLMTVGIQZ-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.39
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 894454) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID894454
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11-3-8-15(20-2)14(9-11)18-16(19)10-21-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyVYTNBPLMTVGIQZ-UHFFFAOYSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 2744126
N-(4-chloro-2-methoxy-5-methylphenyl)-2-thiophen-2-ylacetamide
CID 803801
N-(2-methoxy-5-methylphenyl)-2-[(2-methylbenzyl)thio]acetamide
CID 880073
2-((4-chlorophenyl)thio)-N-(2-phenoxyphenyl)acetamide
CID 1364321
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 974707
N~1~-{2-[(3-chlorobenzyl)thio]ethyl}-N~2~-(2-methoxy-5-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2283477
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2353094
N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide
CID 2886866
2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 24980509
N-(2-Methoxy-5-methylphenyl)-alpha-(phenylthio)benzeneacetamide
CID 2933096
2-((4-Chlorophenyl)thio)-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
CID 734363

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide (CID 894454) is 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is VYTNBPLMTVGIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11-3-8-15(20-2)14(9-11)18-16(19)10-21-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 321.83 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 894454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).