3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide

C24H26N2O4S — CID 43907189

IUPAC3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-14-12-19(13-15-21)18(3)25-24(27)20-11-10-17(2)23(16-20)26-31(28,29)22-8-6-5-7-9-22/h5-16,18,26H,4H2,1-3H3,(H,25,27)
InChIKeySJFHZCFDZHBJJF-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.69
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide

3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 43907189) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID43907189
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-4-30-21-14-12-19(13-15-21)18(3)25-24(27)20-11-10-17(2)23(16-20)26-31(28,29)22-8-6-5-7-9-22/h5-16,18,26H,4H2,1-3H3,(H,25,27)
InChIKeySJFHZCFDZHBJJF-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonamido)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-methylbenzamide
CID 28571796
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92674095
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867
3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217988
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 24575226
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 126184661
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 94012754
3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
CID 133165204
3-[(3,5-dimethylphenyl)sulfamoyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 92684677
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620
3-chloro-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 38015785

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide (CID 43907189) is 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide is CCOc1ccc(C(C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is SJFHZCFDZHBJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-30-21-14-12-19(13-15-21)18(3)25-24(27)20-11-10-17(2)23(16-20)26-31(28,29)22-8-6-5-7-9-22/h5-16,18,26H,4H2,1-3H3,(H,25,27).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide?
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 438.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 43907189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).