N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide

C16H17NO2S — CID 788761

IUPACN-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-12-3-9-15(10-4-12)20-11-16(18)17-13-5-7-14(19-2)8-6-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyMGCBFVNPJJRODR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.73
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 788761) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID788761
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO2S/c1-12-3-9-15(10-4-12)20-11-16(18)17-13-5-7-14(19-2)8-6-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyMGCBFVNPJJRODR-UHFFFAOYSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 788761) is N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is MGCBFVNPJJRODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12-3-9-15(10-4-12)20-11-16(18)17-13-5-7-14(19-2)8-6-13/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 287.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 788761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).