N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide

C19H21N3O4S — CID 46550501

IUPACN-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C19H21N3O4S/c1-12-11-16(7-10-18(12)20-13(2)23)21-19(24)14-3-8-17(9-4-14)27(25,26)22-15-5-6-15/h3-4,7-11,15,22H,5-6H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAMYLWTVTFYYROY-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.65
Rot. Bonds6

About N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide

N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide (PubChem CID 46550501) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide
PubChem CID46550501
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C19H21N3O4S/c1-12-11-16(7-10-18(12)20-13(2)23)21-19(24)14-3-8-17(9-4-14)27(25,26)22-15-5-6-15/h3-4,7-11,15,22H,5-6H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyAMYLWTVTFYYROY-UHFFFAOYSA-N
XLogP2.65
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-(cyclopropylsulfamoyl)-N-[3-methyl-4-(methylsulfamoyl)phenyl]benzamide
CID 166183381
4-(cyclopropylsulfamoyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 17496941
4-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26701623
3-[[4-(cyclopropylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 30379406
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
CID 4627509
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
4-(cyclopropylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 32611210
4-(cyclopropylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 17443857
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-[4-[(4-bromocyclohexyl)sulfamoyl]phenyl]acetamide
CID 114295839

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide (CID 46550501) is N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide?
The InChIKey is AMYLWTVTFYYROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-11-16(7-10-18(12)20-13(2)23)21-19(24)14-3-8-17(9-4-14)27(25,26)22-15-5-6-15/h3-4,7-11,15,22H,5-6H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide?
N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-4-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 46550501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).