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

C25H27N3O4S — CID 34542806

IUPACN,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-28(5-2)25(30)20-10-14-21(15-11-20)26-24(29)19-12-16-22(17-13-19)33(31,32)27-23-9-7-6-8-18(23)3/h6-17,27H,4-5H2,1-3H3,(H,26,29)
InChIKeyULPCFHRGBGENET-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.53
Rot. Bonds8

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

N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 34542806) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID34542806
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-4-28(5-2)25(30)20-10-14-21(15-11-20)26-24(29)19-12-16-22(17-13-19)33(31,32)27-23-9-7-6-8-18(23)3/h6-17,27H,4-5H2,1-3H3,(H,26,29)
InChIKeyULPCFHRGBGENET-UHFFFAOYSA-N
XLogP4.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-ethyl-N-(2-hydroxyethyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 78796489
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-diethylbenzamide
CID 34317793
N,N-diethyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 109065077
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (CID 34542806) is N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is ULPCFHRGBGENET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-28(5-2)25(30)20-10-14-21(15-11-20)26-24(29)19-12-16-22(17-13-19)33(31,32)27-23-9-7-6-8-18(23)3/h6-17,27H,4-5H2,1-3H3,(H,26,29).
What are the key properties of N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 34542806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).