N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

C25H26N2O2S — CID 22777048

IUPACN-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-3-20-11-7-8-18(2)25(20)27-24(29)17-30-22-14-12-21(13-15-22)26-23(28)16-19-9-5-4-6-10-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKDFJZEOOLZDESR-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.47
Rot. Bonds8

About N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide

N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (PubChem CID 22777048) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
PubChem CID22777048
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-3-20-11-7-8-18(2)25(20)27-24(29)17-30-22-14-12-21(13-15-22)26-23(28)16-19-9-5-4-6-10-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKDFJZEOOLZDESR-UHFFFAOYSA-N
XLogP5.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide (CID 22777048) is N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is CCc1cccc(C)c1NC(=O)CSc1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
The InChIKey is KDFJZEOOLZDESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-3-20-11-7-8-18(2)25(20)27-24(29)17-30-22-14-12-21(13-15-22)26-23(28)16-19-9-5-4-6-10-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide?
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide has a molecular weight of 418.56 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide is sourced from PubChem (CID 22777048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).