N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide

C22H22N2O3S — CID 126385435

IUPACN-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H22N2O3S/c1-3-17-9-7-8-12-20(17)23-22(25)18-14-13-16(2)21(15-18)28(26,27)24-19-10-5-4-6-11-19/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyJAUJPSDKDKXMHH-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.61
Rot. Bonds6

About N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide

N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 126385435) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID126385435
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H22N2O3S/c1-3-17-9-7-8-12-20(17)23-22(25)18-14-13-16(2)21(15-18)28(26,27)24-19-10-5-4-6-11-19/h4-15,24H,3H2,1-2H3,(H,23,25)
InChIKeyJAUJPSDKDKXMHH-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

N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
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-propan-2-ylbenzamide
CID 961836
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide (CID 126385435) is N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is JAUJPSDKDKXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-3-17-9-7-8-12-20(17)23-22(25)18-14-13-16(2)21(15-18)28(26,27)24-19-10-5-4-6-11-19/h4-15,24H,3H2,1-2H3,(H,23,25).
What are the key properties of N-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide?
N-(2-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-(2-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 126385435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).