N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide

C18H22N2O3S — CID 124780598

IUPACN-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)c1ccco1
InChIInChI=1S/C18H22N2O3S/c21-18(16-2-1-6-22-16)19-8-17-15-3-5-20(10-14(15)11-23-17)9-13-4-7-24-12-13/h1-2,4,6-7,12,14-15,17H,3,5,8-11H2,(H,19,21)/t14-,15-,17+/m1/s1
InChIKeyNKTLFCKGBVIICB-INMHGKMJSA-N
MW346.45 g/mol
LogP2.61
Rot. Bonds5

About N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide

N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide (PubChem CID 124780598) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
PubChem CID124780598
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
SMILESO=C(NC[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)c1ccco1
InChIInChI=1S/C18H22N2O3S/c21-18(16-2-1-6-22-16)19-8-17-15-3-5-20(10-14(15)11-23-17)9-13-4-7-24-12-13/h1-2,4,6-7,12,14-15,17H,3,5,8-11H2,(H,19,21)/t14-,15-,17+/m1/s1
InChIKeyNKTLFCKGBVIICB-INMHGKMJSA-N
XLogP2.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[(3R,3aS,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 125244694
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
N-[[(1R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 124782364
N-[[(3R,3aS,7aS)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 124781020
N-[[(3S,3aR,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 124817615
N-[[(1R,3aR,7aR)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155853510
N-[[(1R,3aR,7aR)-5-(6-methyl-2-pyridinyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
CID 97459836
2-[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-pyridin-3-ylacetamide
CID 97474656
N-[[(3R,3aS,7aS)-5-(furan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124780347
N-[[(1S,3aS,7aS)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 97459865
(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 126855424
(3S,3aR,7aR)-3-(pyrrolidin-1-ylmethyl)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97378976

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide (CID 124780598) is N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide is O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)c1ccco1.
What is the InChIKey of N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
The InChIKey is NKTLFCKGBVIICB-INMHGKMJSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18(16-2-1-6-22-16)19-8-17-15-3-5-20(10-14(15)11-23-17)9-13-4-7-24-12-13/h1-2,4,6-7,12,14-15,17H,3,5,8-11H2,(H,19,21)/t14-,15-,17+/m1/s1.
What are the key properties of N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide?
N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 124780598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).