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

C20H19NO3S — CID 18151850

IUPACmethyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCc2sccc2C1c1ccccc1
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
InChIKeyCSPSBAJPBGFFJE-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.28
Rot. Bonds4

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

methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate (PubChem CID 18151850) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate
PubChem CID18151850
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Namemethyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCc2sccc2C1c1ccccc1
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
InChIKeyCSPSBAJPBGFFJE-UHFFFAOYSA-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-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 41014272
methyl 4-oxo-2-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3H-quinazoline-7-carboxylate
CID 135925785
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
N-[(2-methylphenyl)methyl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46564008
N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide
CID 42890950
1-morpholin-4-yl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 26377272
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
N-(4-methylphenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492704
ethyl 2-oxo-6-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46563948
N,N-dimethyl-2-[[2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]acetamide
CID 40882407
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7495269
methyl 5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylate
CID 24534408

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate (CID 18151850) is methyl 2-[(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-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCc2sccc2C1c1ccccc1.
What is the InChIKey of methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
The InChIKey is CSPSBAJPBGFFJE-UHFFFAOYSA-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.
What are the key properties of methyl 2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate?
methyl 2-[(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-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 18151850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).