5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide

C16H16N2O3S2 — CID 91630517

IUPAC5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)s1
InChIInChI=1S/C16H16N2O3S2/c1-2-13-5-6-16(22-13)23(19,20)18-11-12-7-8-17-14(10-12)15-4-3-9-21-15/h3-10,18H,2,11H2,1H3
InChIKeyBSJHLGXUOWFOKF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds6

About 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide

5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 91630517) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID91630517
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)s1
InChIInChI=1S/C16H16N2O3S2/c1-2-13-5-6-16(22-13)23(19,20)18-11-12-7-8-17-14(10-12)15-4-3-9-21-15/h3-10,18H,2,11H2,1H3
InChIKeyBSJHLGXUOWFOKF-UHFFFAOYSA-N
XLogP3.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide (CID 91630517) is 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2ccnc(-c3ccco3)c2)s1.
What is the InChIKey of 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is BSJHLGXUOWFOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-2-13-5-6-16(22-13)23(19,20)18-11-12-7-8-17-14(10-12)15-4-3-9-21-15/h3-10,18H,2,11H2,1H3.
What are the key properties of 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide?
5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 91630517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).