N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

C23H23N3O4S — CID 56527434

IUPACN-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1
InChIInChI=1S/C23H23N3O4S/c1-14-8-10-18(31(29,30)26-21-7-5-4-6-15(21)2)13-20(14)23(28)25-17-9-11-19(22(24)27)16(3)12-17/h4-13,26H,1-3H3,(H2,24,27)(H,25,28)
InChIKeyXJOJVPSCYQLEFU-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.76
Rot. Bonds6

About N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide

N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 56527434) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID56527434
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1
InChIInChI=1S/C23H23N3O4S/c1-14-8-10-18(31(29,30)26-21-7-5-4-6-15(21)2)13-20(14)23(28)25-17-9-11-19(22(24)27)16(3)12-17/h4-13,26H,1-3H3,(H2,24,27)(H,25,28)
InChIKeyXJOJVPSCYQLEFU-UHFFFAOYSA-N
XLogP3.76
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55465626
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 55869339
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38034927
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
2-methyl-5-[(2-methylphenyl)sulfamoyl]-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 55982879
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
N-(1-methoxypropan-2-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 42938964
N-(3-anilinopropyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56586349
2-[(4-carbamoylphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 46644069

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide (CID 56527434) is N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C(N)=O)c(C)c2)c1.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is XJOJVPSCYQLEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-14-8-10-18(31(29,30)26-21-7-5-4-6-15(21)2)13-20(14)23(28)25-17-9-11-19(22(24)27)16(3)12-17/h4-13,26H,1-3H3,(H2,24,27)(H,25,28).
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide?
N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 56527434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).