N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide

C19H21N3O4S — CID 9247210

IUPACN-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-22(2)27(25,26)17-10-6-13(7-11-17)18(23)21-16-5-3-4-14(12-16)19(24)20-15-8-9-15/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyODFMCJSLXGWBOB-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.08
Rot. Bonds6

About N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide

N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 9247210) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
PubChem CID9247210
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C19H21N3O4S/c1-22(2)27(25,26)17-10-6-13(7-11-17)18(23)21-16-5-3-4-14(12-16)19(24)20-15-8-9-15/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyODFMCJSLXGWBOB-UHFFFAOYSA-N
XLogP2.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
CID 35743719
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 2676546
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[(4-cyanobenzoyl)amino]-N-cyclopropylbenzamide
CID 16567527
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
1-N-cyclopropyl-4-N-[3-(methanesulfonamido)phenyl]benzene-1,4-dicarboxamide
CID 166185447
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide (CID 9247210) is N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is ODFMCJSLXGWBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-22(2)27(25,26)17-10-6-13(7-11-17)18(23)21-16-5-3-4-14(12-16)19(24)20-15-8-9-15/h3-7,10-12,15H,8-9H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide?
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 9247210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).