3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide

C19H21N3O4S — CID 30379406

IUPAC3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H21N3O4S/c1-22(2)19(24)14-4-3-5-16(12-14)20-18(23)13-6-10-17(11-7-13)27(25,26)21-15-8-9-15/h3-7,10-12,15,21H,8-9H2,1-2H3,(H,20,23)
InChIKeyYQMPQNRQCAEMIO-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.08
Rot. Bonds6

About 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide

3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide (PubChem CID 30379406) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
PubChem CID30379406
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1
InChIInChI=1S/C19H21N3O4S/c1-22(2)19(24)14-4-3-5-16(12-14)20-18(23)13-6-10-17(11-7-13)27(25,26)21-15-8-9-15/h3-7,10-12,15,21H,8-9H2,1-2H3,(H,20,23)
InChIKeyYQMPQNRQCAEMIO-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

3-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 32627137
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941
N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 46550501
4-(cyclopropylsulfamoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 39028264

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide (CID 30379406) is 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1.
What is the InChIKey of 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is YQMPQNRQCAEMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-22(2)19(24)14-4-3-5-16(12-14)20-18(23)13-6-10-17(11-7-13)27(25,26)21-15-8-9-15/h3-7,10-12,15,21H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide 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 3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30379406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).