5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide

C26H23N3O2S2 — CID 2962011

IUPAC5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
SMILESCOc1cccc(CSC2=C(C#N)C(c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)c1
InChIInChI=1S/C26H23N3O2S2/c1-17-23(25(30)29-19-9-4-3-5-10-19)24(22-12-7-13-32-22)21(15-27)26(28-17)33-16-18-8-6-11-20(14-18)31-2/h3-14,24,28H,16H2,1-2H3,(H,29,30)
InChIKeyNEHZFWUTFCQGOS-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.02
Rot. Bonds7

About 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide

5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide (PubChem CID 2962011) has the molecular formula C26H23N3O2S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
PubChem CID2962011
Molecular FormulaC26H23N3O2S2
Molecular Weight473.62 g/mol
Exact Mass473.12
IUPAC Name5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
SMILESCOc1cccc(CSC2=C(C#N)C(c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)c1
InChIInChI=1S/C26H23N3O2S2/c1-17-23(25(30)29-19-9-4-3-5-10-19)24(22-12-7-13-32-22)21(15-27)26(28-17)33-16-18-8-6-11-20(14-18)31-2/h3-14,24,28H,16H2,1-2H3,(H,29,30)
InChIKeyNEHZFWUTFCQGOS-UHFFFAOYSA-N
XLogP6.02
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide (CID 2962011) is 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide is COc1cccc(CSC2=C(C#N)C(c3cccs3)C(C(=O)Nc3ccccc3)=C(C)N2)c1.
What is the InChIKey of 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
The InChIKey is NEHZFWUTFCQGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S2/c1-17-23(25(30)29-19-9-4-3-5-10-19)24(22-12-7-13-32-22)21(15-27)26(28-17)33-16-18-8-6-11-20(14-18)31-2/h3-14,24,28H,16H2,1-2H3,(H,29,30).
What are the key properties of 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 2962011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).