N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide

C25H26N4O4S — CID 55532858

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C25H26N4O4S/c1-2-29(22-8-4-3-5-9-22)34(32,33)23-10-6-7-18(17-23)24(30)26-19-11-13-20(14-12-19)27-25(31)28-21-15-16-21/h3-14,17,21H,2,15-16H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyURQCHTLYJUCRKS-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.44
Rot. Bonds8

About N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 55532858) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID55532858
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C25H26N4O4S/c1-2-29(22-8-4-3-5-9-22)34(32,33)23-10-6-7-18(17-23)24(30)26-19-11-13-20(14-12-19)27-25(31)28-21-15-16-21/h3-14,17,21H,2,15-16H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyURQCHTLYJUCRKS-UHFFFAOYSA-N
XLogP4.44
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 34830846
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46680640
[2-(cyclopropylamino)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579762
3-[ethyl(phenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119425491
N-(2-bromophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 35727860
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
N-(2-bromo-4-methylphenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 26524233
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-3-(2-methylpropoxy)benzamide
CID 17140257
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 46553641

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide (CID 55532858) is N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide is CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is URQCHTLYJUCRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-2-29(22-8-4-3-5-9-22)34(32,33)23-10-6-7-18(17-23)24(30)26-19-11-13-20(14-12-19)27-25(31)28-21-15-16-21/h3-14,17,21H,2,15-16H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 478.57 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-3-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55532858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).