4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide

C25H26N2O2S — CID 39080429

IUPAC4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(CSCC(=O)Nc2ccccc2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H26N2O2S/c1-3-27(23-11-7-8-19(2)16-23)25(29)21-14-12-20(13-15-21)17-30-18-24(28)26-22-9-5-4-6-10-22/h4-16H,3,17-18H2,1-2H3,(H,26,28)
InChIKeyCAOZSARVPRQOOY-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.53
Rot. Bonds8

About 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide

4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide (PubChem CID 39080429) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide
PubChem CID39080429
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(CSCC(=O)Nc2ccccc2)cc1)c1cccc(C)c1
InChIInChI=1S/C25H26N2O2S/c1-3-27(23-11-7-8-19(2)16-23)25(29)21-14-12-20(13-15-21)17-30-18-24(28)26-22-9-5-4-6-10-22/h4-16H,3,17-18H2,1-2H3,(H,26,28)
InChIKeyCAOZSARVPRQOOY-UHFFFAOYSA-N
XLogP5.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
2-benzylsulfanyl-N-phenylacetamide
CID 584914
N'-ethyl-N'-(3-methylphenyl)-N-phenyloxamide
CID 108521844
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]benzoate
CID 5012492
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
CID 39080358
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
N-ethyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 26371180

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide (CID 39080429) is 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide is CCN(C(=O)c1ccc(CSCC(=O)Nc2ccccc2)cc1)c1cccc(C)c1.
What is the InChIKey of 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide?
The InChIKey is CAOZSARVPRQOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-3-27(23-11-7-8-19(2)16-23)25(29)21-14-12-20(13-15-21)17-30-18-24(28)26-22-9-5-4-6-10-22/h4-16H,3,17-18H2,1-2H3,(H,26,28).
What are the key properties of 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide?
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide has a molecular weight of 418.56 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 39080429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).