3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide

C24H26N2O4S — CID 24544897

IUPAC3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H26N2O4S/c1-17-13-14-20(24(27)26-18(2)21-11-7-8-12-22(21)30-3)15-23(17)31(28,29)25-16-19-9-5-4-6-10-19/h4-15,18,25H,16H2,1-3H3,(H,26,27)
InChIKeyCZTHLLCEEYBQIW-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.97
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide

3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 24544897) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID24544897
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H26N2O4S/c1-17-13-14-20(24(27)26-18(2)21-11-7-8-12-22(21)30-3)15-23(17)31(28,29)25-16-19-9-5-4-6-10-19/h4-15,18,25H,16H2,1-3H3,(H,26,27)
InChIKeyCZTHLLCEEYBQIW-UHFFFAOYSA-N
XLogP3.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 55580512
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 133163076
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100588180
3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9482206
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100619306
3-(benzylsulfamoyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 28557712
3-(benzylsulfamoyl)-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28557709
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
3-(benzylsulfamoyl)-4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28557720
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 17472832

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide (CID 24544897) is 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide is COc1ccccc1C(C)NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is CZTHLLCEEYBQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-13-14-20(24(27)26-18(2)21-11-7-8-12-22(21)30-3)15-23(17)31(28,29)25-16-19-9-5-4-6-10-19/h4-15,18,25H,16H2,1-3H3,(H,26,27).
What are the key properties of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 24544897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).