N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

C18H21NO4S — CID 5072004

IUPACN-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO4S/c1-3-14-6-4-5-7-17(14)19-18(20)12-13-24(21,22)16-10-8-15(23-2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyNJELWHGJSFHGTG-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.06
Rot. Bonds7

About N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide

N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 5072004) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID5072004
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO4S/c1-3-14-6-4-5-7-17(14)19-18(20)12-13-24(21,22)16-10-8-15(23-2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyNJELWHGJSFHGTG-UHFFFAOYSA-N
XLogP3.06
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide (CID 5072004) is N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is NJELWHGJSFHGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-14-6-4-5-7-17(14)19-18(20)12-13-24(21,22)16-10-8-15(23-2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide?
N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 347.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 5072004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).