N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide

C23H23N3O4S — CID 30379157

IUPACN,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H23N3O4S/c1-16-7-4-5-10-21(16)25-31(29,30)20-13-11-17(12-14-20)22(27)24-19-9-6-8-18(15-19)23(28)26(2)3/h4-15,25H,1-3H3,(H,24,27)
InChIKeyIJIIJRWUZNHWEP-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.75
Rot. Bonds6

About N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide

N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 30379157) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID30379157
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H23N3O4S/c1-16-7-4-5-10-21(16)25-31(29,30)20-13-11-17(12-14-20)22(27)24-19-9-6-8-18(15-19)23(28)26(2)3/h4-15,25H,1-3H3,(H,24,27)
InChIKeyIJIIJRWUZNHWEP-UHFFFAOYSA-N
XLogP3.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 34542806
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (CID 30379157) is N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is IJIIJRWUZNHWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-16-7-4-5-10-21(16)25-31(29,30)20-13-11-17(12-14-20)22(27)24-19-9-6-8-18(15-19)23(28)26(2)3/h4-15,25H,1-3H3,(H,24,27).
What are the key properties of N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 30379157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).