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

C17H19NO2S — CID 1280600

IUPACN-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-7-14(8-5-12)21-11-17(19)18-15-10-13(2)6-9-16(15)20-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyDJYCVRRVBUFERN-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.04
Rot. Bonds5

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

N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 1280600) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID1280600
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(C)cc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-7-14(8-5-12)21-11-17(19)18-15-10-13(2)6-9-16(15)20-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyDJYCVRRVBUFERN-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 1280600) is N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is COc1ccc(C)cc1NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is DJYCVRRVBUFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-4-7-14(8-5-12)21-11-17(19)18-15-10-13(2)6-9-16(15)20-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 301.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 1280600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).