4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide

C26H28N2O5S — CID 24575206

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-4-33-24-13-9-21(10-14-24)18(2)28-26(30)23-7-5-20(6-8-23)17-27-34(31,32)25-15-11-22(12-16-25)19(3)29/h5-16,18,27H,4,17H2,1-3H3,(H,28,30)
InChIKeyZZPDOYBBXUHZNU-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.26
Rot. Bonds10

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide (PubChem CID 24575206) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
PubChem CID24575206
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O5S/c1-4-33-24-13-9-21(10-14-24)18(2)28-26(30)23-7-5-20(6-8-23)17-27-34(31,32)25-15-11-22(12-16-25)19(3)29/h5-16,18,27H,4,17H2,1-3H3,(H,28,30)
InChIKeyZZPDOYBBXUHZNU-UHFFFAOYSA-N
XLogP4.26
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
N-[1-(4-ethoxyphenyl)ethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55490961
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
CID 120508926
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
3-acetyl-N-[(4-ethoxyphenyl)methyl]benzenesulfonamide
CID 110780917
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
CID 24547843
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide (CID 24575206) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide is CCOc1ccc(C(C)NC(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
The InChIKey is ZZPDOYBBXUHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-4-33-24-13-9-21(10-14-24)18(2)28-26(30)23-7-5-20(6-8-23)17-27-34(31,32)25-15-11-22(12-16-25)19(3)29/h5-16,18,27H,4,17H2,1-3H3,(H,28,30).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide has a molecular weight of 480.59 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 24575206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).