4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C26H27N3O4S — CID 2229395

IUPAC4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)cc1
InChIInChI=1S/C26H27N3O4S/c1-18-9-13-21(14-10-18)28-34(32,33)24-17-20(12-11-19(24)2)25(30)27-23-8-4-3-7-22(23)26(31)29-15-5-6-16-29/h3-4,7-14,17,28H,5-6,15-16H2,1-2H3,(H,27,30)
InChIKeyPPWQHOJMLCDFBL-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.59
Rot. Bonds6

About 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 2229395) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID2229395
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)cc1
InChIInChI=1S/C26H27N3O4S/c1-18-9-13-21(14-10-18)28-34(32,33)24-17-20(12-11-19(24)2)25(30)27-23-8-4-3-7-22(23)26(31)29-15-5-6-16-29/h3-4,7-14,17,28H,5-6,15-16H2,1-2H3,(H,27,30)
InChIKeyPPWQHOJMLCDFBL-UHFFFAOYSA-N
XLogP4.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35274603
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
4-methyl-3-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 2940828
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28566679
2-[[4-bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1240120
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 126414305
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 2229395) is 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2C)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is PPWQHOJMLCDFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-18-9-13-21(14-10-18)28-34(32,33)24-17-20(12-11-19(24)2)25(30)27-23-8-4-3-7-22(23)26(31)29-15-5-6-16-29/h3-4,7-14,17,28H,5-6,15-16H2,1-2H3,(H,27,30).
What are the key properties of 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 477.59 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2229395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).