N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide

C15H17NO4S2 — CID 3340619

IUPACN-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-2-20-13-7-4-3-6-12(13)16-14(17)9-11-22(18,19)15-8-5-10-21-15/h3-8,10H,2,9,11H2,1H3,(H,16,17)
InChIKeyYTZQHTGUHSAYJC-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide

N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 3340619) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
PubChem CID3340619
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC NameN-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide
SMILESCCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1
InChIInChI=1S/C15H17NO4S2/c1-2-20-13-7-4-3-6-12(13)16-14(17)9-11-22(18,19)15-8-5-10-21-15/h3-8,10H,2,9,11H2,1H3,(H,16,17)
InChIKeyYTZQHTGUHSAYJC-UHFFFAOYSA-N
XLogP2.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide (CID 3340619) is N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide is CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is YTZQHTGUHSAYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-2-20-13-7-4-3-6-12(13)16-14(17)9-11-22(18,19)15-8-5-10-21-15/h3-8,10H,2,9,11H2,1H3,(H,16,17).
What are the key properties of N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide?
N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 3340619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).