N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide

C24H24N4O4S — CID 46533296

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C24H24N4O4S/c1-28(21-5-3-2-4-6-21)33(31,32)22-15-7-17(8-16-22)23(29)25-18-9-11-19(12-10-18)26-24(30)27-20-13-14-20/h2-12,15-16,20H,13-14H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyYRRYMAOEGHVCQA-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.05
Rot. Bonds7

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

N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 46533296) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID46533296
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C24H24N4O4S/c1-28(21-5-3-2-4-6-21)33(31,32)22-15-7-17(8-16-22)23(29)25-18-9-11-19(12-10-18)26-24(30)27-20-13-14-20/h2-12,15-16,20H,13-14H2,1H3,(H,25,29)(H2,26,27,30)
InChIKeyYRRYMAOEGHVCQA-UHFFFAOYSA-N
XLogP4.05
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55532553
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(4-iodophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2710071
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-(4-cyanophenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 71904017
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
4-[methyl(phenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 4849780
N-(1,3-benzodioxol-5-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2704583
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 55532858
4-[benzenesulfonyl(methyl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 1296255

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 46533296) is N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is YRRYMAOEGHVCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-28(21-5-3-2-4-6-21)33(31,32)22-15-7-17(8-16-22)23(29)25-18-9-11-19(12-10-18)26-24(30)27-20-13-14-20/h2-12,15-16,20H,13-14H2,1H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 464.55 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46533296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).