2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide

C13H16N2O3S2 — CID 56764890

IUPAC2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-2-11-3-5-12(6-4-11)18-8-10-20(16,17)15-13-14-7-9-19-13/h3-7,9H,2,8,10H2,1H3,(H,14,15)
InChIKeyGHKMBSNRAQDMQL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.53
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide

2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide (PubChem CID 56764890) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide
PubChem CID56764890
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2O3S2/c1-2-11-3-5-12(6-4-11)18-8-10-20(16,17)15-13-14-7-9-19-13/h3-7,9H,2,8,10H2,1H3,(H,14,15)
InChIKeyGHKMBSNRAQDMQL-UHFFFAOYSA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide (CID 56764890) is 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide?
The InChIKey is GHKMBSNRAQDMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-2-11-3-5-12(6-4-11)18-8-10-20(16,17)15-13-14-7-9-19-13/h3-7,9H,2,8,10H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide?
2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 56764890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).