N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide

C17H18ClNO2S — CID 974707

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H18ClNO2S/c1-11-4-6-13(7-5-11)22-10-17(20)19-15-8-12(2)14(18)9-16(15)21-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyLOXIHNKXZLXORT-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.70
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 974707) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID974707
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H18ClNO2S/c1-11-4-6-13(7-5-11)22-10-17(20)19-15-8-12(2)14(18)9-16(15)21-3/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyLOXIHNKXZLXORT-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 2353094
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylsulfonylbenzamide
CID 2540194
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 2335619
2-(4-chlorophenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 894454
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylsulfanylacetamide
CID 734363
N-(2-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 893348
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(phenylthio)acetamide
CID 895197
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(cyanomethyl)sulfanyl]acetamide
CID 1642477
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2540390
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-methylphenyl)sulfanylpropanamide
CID 40196640

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 974707) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is LOXIHNKXZLXORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-11-4-6-13(7-5-11)22-10-17(20)19-15-8-12(2)14(18)9-16(15)21-3/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 335.86 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 974707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).