3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide

C20H26N2O4S — CID 112762702

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-16-8-6-7-15(3)20(16)22-19(23)13-14-21-27(24,25)18-11-9-17(10-12-18)26-5-2/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyDSJMUEIURILCJF-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.26
Rot. Bonds9

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide (PubChem CID 112762702) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
PubChem CID112762702
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2CC)cc1
InChIInChI=1S/C20H26N2O4S/c1-4-16-8-6-7-15(3)20(16)22-19(23)13-14-21-27(24,25)18-11-9-17(10-12-18)26-5-2/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyDSJMUEIURILCJF-UHFFFAOYSA-N
XLogP3.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 112789058
N-(2,3-dimethylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26538586
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
N-(2,6-dimethylphenyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375299
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
N-[3-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55707974
3-[(4-ethoxyphenyl)sulfonylamino]-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51149160
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
3-[(4-ethoxyphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)propanamide
CID 18109310
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide (CID 112762702) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2c(C)cccc2CC)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
The InChIKey is DSJMUEIURILCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-16-8-6-7-15(3)20(16)22-19(23)13-14-21-27(24,25)18-11-9-17(10-12-18)26-5-2/h6-12,21H,4-5,13-14H2,1-3H3,(H,22,23).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide has a molecular weight of 390.51 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)propanamide is sourced from PubChem (CID 112762702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).