4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C25H26ClN3O4S — CID 170903973

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C
InChIInChI=1S/C25H26ClN3O4S/c1-17-5-10-21(15-18(17)2)27-24(30)16-28(3)25(31)19-6-11-22(12-7-19)29(4)34(32,33)23-13-8-20(26)9-14-23/h5-15H,16H2,1-4H3,(H,27,30)
InChIKeyGCGUGLFKWBPVGV-UHFFFAOYSA-N
MW500.02 g/mol
LogP4.49
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 170903973) has the molecular formula C25H26ClN3O4S and a molecular weight of 500.02 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID170903973
Molecular FormulaC25H26ClN3O4S
Molecular Weight500.02 g/mol
Exact Mass499.13
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C
InChIInChI=1S/C25H26ClN3O4S/c1-17-5-10-21(15-18(17)2)27-24(30)16-28(3)25(31)19-6-11-22(12-7-19)29(4)34(32,33)23-13-8-20(26)9-14-23/h5-15H,16H2,1-4H3,(H,27,30)
InChIKeyGCGUGLFKWBPVGV-UHFFFAOYSA-N
XLogP4.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.02
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 23792056
N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 17413733
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfonylbenzamide
CID 9418661
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethylphenyl)benzamide
CID 5200570
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 4874894
N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788554
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 170903973) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is GCGUGLFKWBPVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4S/c1-17-5-10-21(15-18(17)2)27-24(30)16-28(3)25(31)19-6-11-22(12-7-19)29(4)34(32,33)23-13-8-20(26)9-14-23/h5-15H,16H2,1-4H3,(H,27,30).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 500.02 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 170903973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).