4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide

C9H15NO3S2 — CID 54477607

IUPAC4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide
SMILESCCOc1cc(S(=O)(=O)N(C)C)sc1C
InChIInChI=1S/C9H15NO3S2/c1-5-13-8-6-9(14-7(8)2)15(11,12)10(3)4/h6H,5H2,1-4H3
InChIKeyXMRQQYOEKQZODW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.71
Rot. Bonds4

About 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide

4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide (PubChem CID 54477607) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide
PubChem CID54477607
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC Name4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide
SMILESCCOc1cc(S(=O)(=O)N(C)C)sc1C
InChIInChI=1S/C9H15NO3S2/c1-5-13-8-6-9(14-7(8)2)15(11,12)10(3)4/h6H,5H2,1-4H3
InChIKeyXMRQQYOEKQZODW-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide?
The IUPAC name of 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide (CID 54477607) is 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide.
What is the SMILES notation for 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide?
The canonical SMILES for 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide is CCOc1cc(S(=O)(=O)N(C)C)sc1C.
What is the InChIKey of 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide?
The InChIKey is XMRQQYOEKQZODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-5-13-8-6-9(14-7(8)2)15(11,12)10(3)4/h6H,5H2,1-4H3.
What are the key properties of 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide?
4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide has a molecular weight of 249.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N,5-trimethylthiophene-2-sulfonamide is sourced from PubChem (CID 54477607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).