N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide

C23H24N2O2S — CID 3432237

IUPACN-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Nc1cccc(SC)c1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-3-27-21-15-8-7-14-20(21)25-23(26)22(17-10-5-4-6-11-17)24-18-12-9-13-19(16-18)28-2/h4-16,22,24H,3H2,1-2H3,(H,25,26)
InChIKeyNJTLGOHEPLPOQM-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.60
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide

N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide (PubChem CID 3432237) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide
PubChem CID3432237
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Nc1cccc(SC)c1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-3-27-21-15-8-7-14-20(21)25-23(26)22(17-10-5-4-6-11-17)24-18-12-9-13-19(16-18)28-2/h4-16,22,24H,3H2,1-2H3,(H,25,26)
InChIKeyNJTLGOHEPLPOQM-UHFFFAOYSA-N
XLogP5.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-ethoxyphenyl)-2-phenyl-2-(prop-2-ynylamino)acetamide
CID 9357615
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902348
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
N-cyclopropyl-2-(2-ethoxyanilino)-2-phenylacetamide
CID 17489440
2-(diethylamino)-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 56538563
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide (CID 3432237) is N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(Nc1cccc(SC)c1)c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide?
The InChIKey is NJTLGOHEPLPOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-3-27-21-15-8-7-14-20(21)25-23(26)22(17-10-5-4-6-11-17)24-18-12-9-13-19(16-18)28-2/h4-16,22,24H,3H2,1-2H3,(H,25,26).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide?
N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide has a molecular weight of 392.52 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(3-methylsulfanylanilino)-2-phenylacetamide is sourced from PubChem (CID 3432237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).