N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide

C16H17NOS — CID 788759

IUPACN-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H17NOS/c1-12-6-8-15(9-7-12)19-11-16(18)17-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyODUJHISZPDTSJS-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.03
Rot. Bonds4

About N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 788759) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID788759
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H17NOS/c1-12-6-8-15(9-7-12)19-11-16(18)17-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyODUJHISZPDTSJS-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 788759) is N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is ODUJHISZPDTSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12-6-8-15(9-7-12)19-11-16(18)17-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 271.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 788759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).