methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate

C20H19NO3S — CID 32959509

IUPACmethyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C20H19NO3S/c1-23-20(22)15-8-11-24-17(15)13-21-10-7-18-16(9-12-25-18)19(21)14-5-3-2-4-6-14/h2-6,8-9,11-12,19H,7,10,13H2,1H3/t19-/m1/s1
InChIKeyCSPSBAJPBGFFJE-LJQANCHMSA-N
MW353.44 g/mol
LogP4.28
Rot. Bonds4

About methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate

methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate (PubChem CID 32959509) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate
PubChem CID32959509
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Namemethyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCc2sccc2[C@H]1c1ccccc1
InChIInChI=1S/C20H19NO3S/c1-23-20(22)15-8-11-24-17(15)13-21-10-7-18-16(9-12-25-18)19(21)14-5-3-2-4-6-14/h2-6,8-9,11-12,19H,7,10,13H2,1H3/t19-/m1/s1
InChIKeyCSPSBAJPBGFFJE-LJQANCHMSA-N
XLogP4.28
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate (CID 32959509) is methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCc2sccc2[C@H]1c1ccccc1.
What is the InChIKey of methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate?
The InChIKey is CSPSBAJPBGFFJE-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-23-20(22)15-8-11-24-17(15)13-21-10-7-18-16(9-12-25-18)19(21)14-5-3-2-4-6-14/h2-6,8-9,11-12,19H,7,10,13H2,1H3/t19-/m1/s1.
What are the key properties of methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate?
methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate has a molecular weight of 353.44 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 32959509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).