N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide

C24H23N3O4S — CID 46680640

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H23N3O4S/c1-27(21-7-3-2-4-8-21)32(30,31)22-9-5-6-18(16-22)24(29)26-19-12-10-17(11-13-19)23(28)25-20-14-15-20/h2-13,16,20H,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJBIQGJBTFVLTLC-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.66
Rot. Bonds7

About N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 46680640) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID46680640
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H23N3O4S/c1-27(21-7-3-2-4-8-21)32(30,31)22-9-5-6-18(16-22)24(29)26-19-12-10-17(11-13-19)23(28)25-20-14-15-20/h2-13,16,20H,14-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyJBIQGJBTFVLTLC-UHFFFAOYSA-N
XLogP3.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55532858
N-(3-hydroxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 78783436
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 55699978
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
3-[methyl-(4-methylphenyl)sulfamoyl]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385924
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55532553

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 46680640) is N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is JBIQGJBTFVLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-27(21-7-3-2-4-8-21)32(30,31)22-9-5-6-18(16-22)24(29)26-19-12-10-17(11-13-19)23(28)25-20-14-15-20/h2-13,16,20H,14-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46680640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).