N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide

C22H22N2O3S — CID 1022025

IUPACN-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-3-17-10-13-19(14-11-17)23-22(25)18-12-9-16(2)21(15-18)28(26,27)24-20-7-5-4-6-8-20/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyHKNLXCAUGJJVAZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.61
Rot. Bonds6

About N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide

N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 1022025) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID1022025
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-3-17-10-13-19(14-11-17)23-22(25)18-12-9-16(2)21(15-18)28(26,27)24-20-7-5-4-6-8-20/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyHKNLXCAUGJJVAZ-UHFFFAOYSA-N
XLogP4.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126385435
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
N-(4-bromo-3-chlorophenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1252514
4-[[3-[(4-chlorophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1144112
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 18190078

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (CID 1022025) is N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is HKNLXCAUGJJVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-3-17-10-13-19(14-11-17)23-22(25)18-12-9-16(2)21(15-18)28(26,27)24-20-7-5-4-6-8-20/h4-15,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 1022025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).