3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide

C26H30N2O4S — CID 92674095

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-6-32-23-13-11-21(12-14-23)20(5)27-26(29)22-10-9-19(4)25(16-22)33(30,31)28-24-15-17(2)7-8-18(24)3/h7-16,20,28H,6H2,1-5H3,(H,27,29)/t20-/m1/s1
InChIKeyUMKVFQUJSNJECQ-HXUWFJFHSA-N
MW466.60 g/mol
LogP5.30
Rot. Bonds8

About 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 92674095) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID92674095
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1
InChIInChI=1S/C26H30N2O4S/c1-6-32-23-13-11-21(12-14-23)20(5)27-26(29)22-10-9-19(4)25(16-22)33(30,31)28-24-15-17(2)7-8-18(24)3/h7-16,20,28H,6H2,1-5H3,(H,27,29)/t20-/m1/s1
InChIKeyUMKVFQUJSNJECQ-HXUWFJFHSA-N
XLogP5.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92684677
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 43905793
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100619306
4-methyl-N-[1-(4-methylphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43905231
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 1260972
4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 4239611
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 92675662
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 30389944
4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 28636768
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide (CID 92674095) is 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide is CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is UMKVFQUJSNJECQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-6-32-23-13-11-21(12-14-23)20(5)27-26(29)22-10-9-19(4)25(16-22)33(30,31)28-24-15-17(2)7-8-18(24)3/h7-16,20,28H,6H2,1-5H3,(H,27,29)/t20-/m1/s1.
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 466.60 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 92674095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).