4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

C20H25N3O4S — CID 30258311

IUPAC4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25N3O4S/c1-14-6-7-15(2)18(12-14)21-19(24)13-23(28(5,26)27)17-10-8-16(9-11-17)20(25)22(3)4/h6-12H,13H2,1-5H3,(H,21,24)
InChIKeyLMRMKVORYLMEDA-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.41
Rot. Bonds6

About 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide

4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (PubChem CID 30258311) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
PubChem CID30258311
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H25N3O4S/c1-14-6-7-15(2)18(12-14)21-19(24)13-23(28(5,26)27)17-10-8-16(9-11-17)20(25)22(3)4/h6-12H,13H2,1-5H3,(H,21,24)
InChIKeyLMRMKVORYLMEDA-UHFFFAOYSA-N
XLogP2.41
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30258326
4-[(2-anilino-2-oxoethyl)-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30257759
3-[4-(dimethylamino)-N-methylsulfonylanilino]-N-(2,5-dimethylphenyl)propanamide
CID 113145737
2-(4-methyl-N-methylsulfonylanilino)-N-(2-methyl-5-nitrophenyl)acetamide
CID 21372663
N-(2,5-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283214
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369
N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1102314
N,N-dimethyl-4-[[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43900385
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
methyl 4-[[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 56539828
4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268
N-(5-chloro-2-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3358994

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide (CID 30258311) is 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is Cc1ccc(C)c(NC(=O)CN(c2ccc(C(=O)N(C)C)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
The InChIKey is LMRMKVORYLMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-14-6-7-15(2)18(12-14)21-19(24)13-23(28(5,26)27)17-10-8-16(9-11-17)20(25)22(3)4/h6-12H,13H2,1-5H3,(H,21,24).
What are the key properties of 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide?
4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30258311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).