N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

C17H19NOS — CID 881507

IUPACN-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C17H19NOS/c1-13-7-9-16(10-8-13)20-12-17(19)18-11-15-6-4-3-5-14(15)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyYDXTWXRSXSNCPW-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.71
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide

N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 881507) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID881507
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C17H19NOS/c1-13-7-9-16(10-8-13)20-12-17(19)18-11-15-6-4-3-5-14(15)2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyYDXTWXRSXSNCPW-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide (CID 881507) is N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCc2ccccc2C)cc1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is YDXTWXRSXSNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-13-7-9-16(10-8-13)20-12-17(19)18-11-15-6-4-3-5-14(15)2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 285.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 881507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).