(4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide

C25H20ClN3OS2 — CID 6998231

IUPAC(4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide
SMILESCC1=NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H](c2cccs2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C25H20ClN3OS2/c1-16-22(24(30)29-19-6-3-2-4-7-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-9-11-18(26)12-10-17/h2-13,22-23H,15H2,1H3,(H,29,30)/t22?,23-/m1/s1
InChIKeyVZIYKQASWQCNFW-OZAIVSQSSA-N
MW478.04 g/mol
LogP6.88
Rot. Bonds6

About (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide

(4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide (PubChem CID 6998231) has the molecular formula C25H20ClN3OS2 and a molecular weight of 478.04 g/mol. Its IUPAC name is (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name(4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide
PubChem CID6998231
Molecular FormulaC25H20ClN3OS2
Molecular Weight478.04 g/mol
Exact Mass477.07
IUPAC Name(4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide
SMILESCC1=NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H](c2cccs2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C25H20ClN3OS2/c1-16-22(24(30)29-19-6-3-2-4-7-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-9-11-18(26)12-10-17/h2-13,22-23H,15H2,1H3,(H,29,30)/t22?,23-/m1/s1
InChIKeyVZIYKQASWQCNFW-OZAIVSQSSA-N
XLogP6.88
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[(4S)-5-cyano-2-methyl-3-(phenylcarbamoyl)-4-thiophen-2-yl-3,4-dihydropyridin-6-yl]sulfanyl]acetic acid
CID 7109388
(4R)-4-(2-chlorophenyl)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-N-phenyl-3,4-dihydropyridine-3-carboxamide
CID 7154893
(4S)-3-acetyl-2-methyl-6-(3-methylbut-2-enylsulfanyl)-4-thiophen-2-yl-3,4-dihydropyridine-5-carbonitrile
CID 7458835
6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 2835601
(4S)-N-(4-chlorophenyl)-5-cyano-4-(furan-2-yl)-2-methyl-6-methylsulfanyl-3,4-dihydropyridine-3-carboxamide
CID 7853618
ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate
CID 78444362
ethyl (4S)-5-cyano-2-methyl-6-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxylate
CID 7072290
ethyl (2R,3R,4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-hydroxy-2-methyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate
CID 6548628
(4S)-6-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 1391291
ethyl (3R,4R)-6-benzylsulfanyl-5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-3-carboxylate
CID 7768481
3-cyano-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide
CID 74723515
6-amino-N-(4-chlorophenyl)-5-cyano-2-methyl-4-thiophen-2-yl-4H-pyran-3-carboxamide
CID 3577538

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide?
The IUPAC name of (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide (CID 6998231) is (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide?
The canonical SMILES for (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide is CC1=NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H](c2cccs2)C1C(=O)Nc1ccccc1.
What is the InChIKey of (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide?
The InChIKey is VZIYKQASWQCNFW-OZAIVSQSSA-N. The full InChI is InChI=1S/C25H20ClN3OS2/c1-16-22(24(30)29-19-6-3-2-4-7-19)23(21-8-5-13-31-21)20(14-27)25(28-16)32-15-17-9-11-18(26)12-10-17/h2-13,22-23H,15H2,1H3,(H,29,30)/t22?,23-/m1/s1.
What are the key properties of (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide?
(4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide has a molecular weight of 478.04 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 6998231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).