(3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C17H26N2O3S — CID 134689998

IUPAC(3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCCc2cccs2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C17H26N2O3S/c1-21-9-7-19-12-13(11-16-15(19)5-8-22-16)17(20)18-6-4-14-3-2-10-23-14/h2-3,10,13,15-16H,4-9,11-12H2,1H3,(H,18,20)/t13-,15-,16-/m0/s1
InChIKeyUFCFNDOKPOVEOI-BPUTZDHNSA-N
MW338.47 g/mol
LogP1.53
Rot. Bonds7

About (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 134689998) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID134689998
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCCc2cccs2)C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C17H26N2O3S/c1-21-9-7-19-12-13(11-16-15(19)5-8-22-16)17(20)18-6-4-14-3-2-10-23-14/h2-3,10,13,15-16H,4-9,11-12H2,1H3,(H,18,20)/t13-,15-,16-/m0/s1
InChIKeyUFCFNDOKPOVEOI-BPUTZDHNSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 134689998) is (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is COCCN1C[C@@H](C(=O)NCCc2cccs2)C[C@@H]2OCC[C@@H]21.
What is the InChIKey of (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is UFCFNDOKPOVEOI-BPUTZDHNSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-21-9-7-19-12-13(11-16-15(19)5-8-22-16)17(20)18-6-4-14-3-2-10-23-14/h2-3,10,13,15-16H,4-9,11-12H2,1H3,(H,18,20)/t13-,15-,16-/m0/s1.
What are the key properties of (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,7aS)-4-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 134689998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).