5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C21H27N3O4S — CID 27783242

IUPAC5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H27N3O4S/c1-6-23-29(27,28)17-8-7-14(3)18(11-17)21(26)22-12-19(25)24-20-15(4)9-13(2)10-16(20)5/h7-11,23H,6,12H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyXTMSNHNMZHLCSH-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.59
Rot. Bonds7

About 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 27783242) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID27783242
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H27N3O4S/c1-6-23-29(27,28)17-8-7-14(3)18(11-17)21(26)22-12-19(25)24-20-15(4)9-13(2)10-16(20)5/h7-11,23H,6,12H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyXTMSNHNMZHLCSH-UHFFFAOYSA-N
XLogP2.59
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26714040
2-chloro-5-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713789
5-(ethylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550828
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-(2-amino-2-ethylbutyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119640149
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 27783242) is 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is XTMSNHNMZHLCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-6-23-29(27,28)17-8-7-14(3)18(11-17)21(26)22-12-19(25)24-20-15(4)9-13(2)10-16(20)5/h7-11,23H,6,12H2,1-5H3,(H,22,26)(H,24,25).
What are the key properties of 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 27783242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).