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

C18H21N3O4S — CID 30257759

IUPAC4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-20(2)18(23)14-9-11-16(12-10-14)21(26(3,24)25)13-17(22)19-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,19,22)
InChIKeyIBQBHIZTMVHDFI-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.79
Rot. Bonds6

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

4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 30257759) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID30257759
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21N3O4S/c1-20(2)18(23)14-9-11-16(12-10-14)21(26(3,24)25)13-17(22)19-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,19,22)
InChIKeyIBQBHIZTMVHDFI-UHFFFAOYSA-N
XLogP1.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369
methyl 4-[[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539828
4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268
4-[[2-(3-ethoxyanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30272647
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
4-[[2-(benzhydrylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30276600
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
N-(4-fluorophenyl)-2-(N-methylsulfonylanilino)acetamide
CID 773985
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30258311
ethyl 4-[[2-(N-methylsulfonylanilino)acetyl]amino]benzoate
CID 1361162
4-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30263964
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894

Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide (CID 30257759) is 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is IBQBHIZTMVHDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-20(2)18(23)14-9-11-16(12-10-14)21(26(3,24)25)13-17(22)19-15-7-5-4-6-8-15/h4-12H,13H2,1-3H3,(H,19,22).
What are the key properties of 4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 375.45 g/mol, XLogP of 1.79, 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)-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30257759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).