(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C16H24N2O3S — CID 97362713

IUPAC(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2
InChIInChI=1S/C16H24N2O3S/c1-20-8-5-17-15(19)16-4-7-21-14(16)2-6-18(12-16)10-13-3-9-22-11-13/h3,9,11,14H,2,4-8,10,12H2,1H3,(H,17,19)/t14-,16-/m1/s1
InChIKeyNXXLZNKUJHXQIJ-GDBMZVCRSA-N
MW324.45 g/mol
LogP1.49
Rot. Bonds6

About (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362713) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362713
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2
InChIInChI=1S/C16H24N2O3S/c1-20-8-5-17-15(19)16-4-7-21-14(16)2-6-18(12-16)10-13-3-9-22-11-13/h3,9,11,14H,2,4-8,10,12H2,1H3,(H,17,19)/t14-,16-/m1/s1
InChIKeyNXXLZNKUJHXQIJ-GDBMZVCRSA-N
XLogP1.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362713) is (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2.
What is the InChIKey of (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is NXXLZNKUJHXQIJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-20-8-5-17-15(19)16-4-7-21-14(16)2-6-18(12-16)10-13-3-9-22-11-13/h3,9,11,14H,2,4-8,10,12H2,1H3,(H,17,19)/t14-,16-/m1/s1.
What are the key properties of (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-(2-methoxyethyl)-5-(thiophen-3-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).