2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide

C23H23NO2S — CID 1334682

IUPAC2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)COc1ccccc1C
InChIInChI=1S/C23H23NO2S/c1-17-8-6-7-11-22(17)26-15-23(25)24-21-13-12-19(14-18(21)2)16-27-20-9-4-3-5-10-20/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyWRGNVNARAOOQBH-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.61
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide

2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 1334682) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID1334682
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCc1cc(CSc2ccccc2)ccc1NC(=O)COc1ccccc1C
InChIInChI=1S/C23H23NO2S/c1-17-8-6-7-11-22(17)26-15-23(25)24-21-13-12-19(14-18(21)2)16-27-20-9-4-3-5-10-20/h3-14H,15-16H2,1-2H3,(H,24,25)
InChIKeyWRGNVNARAOOQBH-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide (CID 1334682) is 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide is Cc1cc(CSc2ccccc2)ccc1NC(=O)COc1ccccc1C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is WRGNVNARAOOQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-17-8-6-7-11-22(17)26-15-23(25)24-21-13-12-19(14-18(21)2)16-27-20-9-4-3-5-10-20/h3-14H,15-16H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide?
2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 1334682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).