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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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).