4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide

C24H24N2O4S — CID 39080358

IUPAC4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-2-26(22-11-7-4-8-12-22)24(28)20-15-13-19(14-16-20)17-31(29,30)18-23(27)25-21-9-5-3-6-10-21/h3-16H,2,17-18H2,1H3,(H,25,27)
InChIKeyJBMQKUFDDIYKRT-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.91
Rot. Bonds8

About 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide

4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide (PubChem CID 39080358) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
PubChem CID39080358
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H24N2O4S/c1-2-26(22-11-7-4-8-12-22)24(28)20-15-13-19(14-16-20)17-31(29,30)18-23(27)25-21-9-5-3-6-10-21/h3-16H,2,17-18H2,1H3,(H,25,27)
InChIKeyJBMQKUFDDIYKRT-UHFFFAOYSA-N
XLogP3.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide
CID 39080347
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide
CID 39080326
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
4-[[2-(butylamino)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54815388
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54817927
N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787600
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]-N-ethyl-N-(3-methylphenyl)benzamide
CID 39080429

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide (CID 39080358) is 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide?
The InChIKey is JBMQKUFDDIYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-2-26(22-11-7-4-8-12-22)24(28)20-15-13-19(14-16-20)17-31(29,30)18-23(27)25-21-9-5-3-6-10-21/h3-16H,2,17-18H2,1H3,(H,25,27).
What are the key properties of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide?
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide has a molecular weight of 436.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 39080358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).