N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide

C23H23N3O3S — CID 37005243

IUPACN-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C23H23N3O3S/c27-23(18-5-4-8-22(15-18)30(28,29)24-16-17-9-10-17)26-21-13-11-20(12-14-21)25-19-6-2-1-3-7-19/h1-8,11-15,17,24-25H,9-10,16H2,(H,26,27)
InChIKeyFYKUQECKYAVQKW-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.37
Rot. Bonds8

About N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide

N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide (PubChem CID 37005243) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
PubChem CID37005243
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C23H23N3O3S/c27-23(18-5-4-8-22(15-18)30(28,29)24-16-17-9-10-17)26-21-13-11-20(12-14-21)25-19-6-2-1-3-7-19/h1-8,11-15,17,24-25H,9-10,16H2,(H,26,27)
InChIKeyFYKUQECKYAVQKW-UHFFFAOYSA-N
XLogP4.37
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
3-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]-N-phenylbenzamide
CID 72906058
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
CID 56523768
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 60561894

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide?
The IUPAC name of N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide (CID 37005243) is N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide is O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide?
The InChIKey is FYKUQECKYAVQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-23(18-5-4-8-22(15-18)30(28,29)24-16-17-9-10-17)26-21-13-11-20(12-14-21)25-19-6-2-1-3-7-19/h1-8,11-15,17,24-25H,9-10,16H2,(H,26,27).
What are the key properties of N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide?
N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide has a molecular weight of 421.52 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide is sourced from PubChem (CID 37005243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).