3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide

C24H24ClN3O4S — CID 38659885

IUPAC3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H24ClN3O4S/c1-17-12-13-19(14-22(17)33(31,32)26-15-18-8-4-3-5-9-18)24(30)28(2)16-23(29)27-21-11-7-6-10-20(21)25/h3-14,26H,15-16H2,1-2H3,(H,27,29)
InChIKeyXFXOWCGIFQQLSD-UHFFFAOYSA-N
MW485.99 g/mol
LogP3.84
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide

3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (PubChem CID 38659885) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
PubChem CID38659885
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C24H24ClN3O4S/c1-17-12-13-19(14-22(17)33(31,32)26-15-18-8-4-3-5-9-18)24(30)28(2)16-23(29)27-21-11-7-6-10-20(21)25/h3-14,26H,15-16H2,1-2H3,(H,27,29)
InChIKeyXFXOWCGIFQQLSD-UHFFFAOYSA-N
XLogP3.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 24550044
3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
CID 24542584
3-(benzylsulfamoyl)-N,N-bis(cyanomethyl)-4-methylbenzamide
CID 60613005
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26560772
3-(benzylsulfamoyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,4-dimethylbenzamide
CID 40881258
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 26560876
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
methyl 3-[[2-(2-chloroanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 55789119
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 55580512
N-[2-(2-chloroanilino)-2-oxoethyl]-5-iodo-N-methylthiophene-3-carboxamide
CID 78949699

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide (CID 38659885) is 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
The InChIKey is XFXOWCGIFQQLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-17-12-13-19(14-22(17)33(31,32)26-15-18-8-4-3-5-9-18)24(30)28(2)16-23(29)27-21-11-7-6-10-20(21)25/h3-14,26H,15-16H2,1-2H3,(H,27,29).
What are the key properties of 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide?
3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide has a molecular weight of 485.99 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 38659885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).