ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

C20H18N2O3S — CID 3236359

IUPACethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)C1c1ccco1
InChIInChI=1S/C20H18N2O3S/c1-3-24-20(23)17-16(15-10-7-11-25-15)14(12-21)19(26-2)22-18(17)13-8-5-4-6-9-13/h4-11,16,22H,3H2,1-2H3
InChIKeyFPBJAJTXGLCDCM-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.04
Rot. Bonds5

About ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 3236359) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
PubChem CID3236359
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Nameethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)C1c1ccco1
InChIInChI=1S/C20H18N2O3S/c1-3-24-20(23)17-16(15-10-7-11-25-15)14(12-21)19(26-2)22-18(17)13-8-5-4-6-9-13/h4-11,16,22H,3H2,1-2H3
InChIKeyFPBJAJTXGLCDCM-UHFFFAOYSA-N
XLogP4.04
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 5-cyano-4-(furan-2-yl)-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
CID 661439
ethyl 6-amino-5-cyano-4-(furan-2-yl)-2-phenyl-4H-pyran-3-carboxylate
CID 662548
Isopropyl 2-((3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl)thio)acetate
CID 2833663
Ethyl 5-cyano-4-(2-furyl)-6-({2-[(4-methylphenyl)amino]-2-oxoethyl}thio)-2-phenyl-1,4-dihydro-3-pyridinecarboxylate
CID 2941157
Benzyl {[3-cyano-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
CID 3128172
2-Methoxyethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
CID 661453
4-(Furan-2-yl)-5-oxo-2-((2-oxo-2-phenylethyl)thio)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 661645
4-(Furan-2-yl)-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 661658
5-Acetyl-2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-YL)-6-methyl-1,4-dihydropyridine-3-carbonitrile
CID 2862219
4-(2-Furyl)-7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]thio}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2951764
5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester
CID 3782132
CID 4779845
CID 4779845

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate (CID 3236359) is ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)C1c1ccco1.
What is the InChIKey of ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is FPBJAJTXGLCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-3-24-20(23)17-16(15-10-7-11-25-15)14(12-21)19(26-2)22-18(17)13-8-5-4-6-9-13/h4-11,16,22H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 366.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-4-(furan-2-yl)-6-methylsulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 3236359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).