3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide

C25H28N2O4S — CID 133163076

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C25H28N2O4S/c1-16-11-13-21(14-18(16)3)27-32(29,30)24-15-20(12-10-17(24)2)25(28)26-19(4)22-8-6-7-9-23(22)31-5/h6-15,19,27H,1-5H3,(H,26,28)
InChIKeyQHVBXMXPHWWWDC-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.91
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide

3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 133163076) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID133163076
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccccc1C(C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C25H28N2O4S/c1-16-11-13-21(14-18(16)3)27-32(29,30)24-15-20(12-10-17(24)2)25(28)26-19(4)22-8-6-7-9-23(22)31-5/h6-15,19,27H,1-5H3,(H,26,28)
InChIKeyQHVBXMXPHWWWDC-UHFFFAOYSA-N
XLogP4.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100588180
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100619306
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 17472832
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 26001159
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
4-chloro-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 133186415
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28553191

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide (CID 133163076) is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide is COc1ccccc1C(C)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is QHVBXMXPHWWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-16-11-13-21(14-18(16)3)27-32(29,30)24-15-20(12-10-17(24)2)25(28)26-19(4)22-8-6-7-9-23(22)31-5/h6-15,19,27H,1-5H3,(H,26,28).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide?
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 133163076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).