3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide

C24H24N2O4S — CID 3438717

IUPAC3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C24H24N2O4S/c1-17-5-3-7-20(15-17)23(27)25-14-13-19-9-11-22(12-10-19)31(29,30)26-24(28)21-8-4-6-18(2)16-21/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQTBYCKWHLUCOGO-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.39
Rot. Bonds7

About 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide

3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide (PubChem CID 3438717) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide
PubChem CID3438717
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C24H24N2O4S/c1-17-5-3-7-20(15-17)23(27)25-14-13-19-9-11-22(12-10-19)31(29,30)26-24(28)21-8-4-6-18(2)16-21/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQTBYCKWHLUCOGO-UHFFFAOYSA-N
XLogP3.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 110790612
N-[2-[4-(cyclopentylsulfamoyl)phenyl]ethyl]-3-methylbenzamide
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N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 59768002
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
CID 70622668
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
3-methyl-N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide
CID 22921504
3-methyl-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108573729
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide (CID 3438717) is 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide is Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3cccc(C)c3)cc2)c1.
What is the InChIKey of 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide?
The InChIKey is QTBYCKWHLUCOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-17-5-3-7-20(15-17)23(27)25-14-13-19-9-11-22(12-10-19)31(29,30)26-24(28)21-8-4-6-18(2)16-21/h3-12,15-16H,13-14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide?
3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide has a molecular weight of 436.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-[(3-methylbenzoyl)sulfamoyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 3438717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).