4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide

C18H20N2O4S — CID 39080347

IUPAC4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-20(2)18(22)15-10-8-14(9-11-15)12-25(23,24)13-17(21)19-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyPYPUVEMXMFMNFK-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.94
Rot. Bonds6

About 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide

4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide (PubChem CID 39080347) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide
PubChem CID39080347
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-20(2)18(22)15-10-8-14(9-11-15)12-25(23,24)13-17(21)19-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,21)
InChIKeyPYPUVEMXMFMNFK-UHFFFAOYSA-N
XLogP1.94
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-ethyl-N-phenylbenzamide
CID 39080358
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N-benzyl-N-propan-2-ylbenzamide
CID 39080326
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(3-methylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731412
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylsulfonyl]-N-phenylacetamide
CID 39080342
methyl 4-[[2-[(4-chlorophenyl)methylsulfonyl]acetyl]amino]benzoate
CID 17225120
4-[[[N-(2-anilino-2-oxoethyl)-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide
CID 111873147
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
N,N-dimethyl-4-[[2-(2-phenylethylamino)acetyl]amino]benzamide
CID 54815122

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide (CID 39080347) is 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide?
The InChIKey is PYPUVEMXMFMNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-20(2)18(22)15-10-8-14(9-11-15)12-25(23,24)13-17(21)19-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,19,21).
What are the key properties of 4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide?
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 1.94, 6 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,N-dimethylbenzamide is sourced from PubChem (CID 39080347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).