5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide

C20H19N3OS2 — CID 2840964

IUPAC5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
SMILESCSC1=C(C#N)C(c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1
InChIInChI=1S/C20H19N3OS2/c1-12-7-4-5-8-15(12)23-19(24)17-13(2)22-20(25-3)14(11-21)18(17)16-9-6-10-26-16/h4-10,18,22H,1-3H3,(H,23,24)
InChIKeySJHJOUOICQCBIB-UHFFFAOYSA-N
MW381.53 g/mol
LogP4.75
Rot. Bonds4

About 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide

5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide (PubChem CID 2840964) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
PubChem CID2840964
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC Name5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
SMILESCSC1=C(C#N)C(c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1
InChIInChI=1S/C20H19N3OS2/c1-12-7-4-5-8-15(12)23-19(24)17-13(2)22-20(25-3)14(11-21)18(17)16-9-6-10-26-16/h4-10,18,22H,1-3H3,(H,23,24)
InChIKeySJHJOUOICQCBIB-UHFFFAOYSA-N
XLogP4.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 2841066
5-cyano-2-methyl-N-(2-methylphenyl)-6-phenacylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 2841465
(4S)-5-cyano-2-methyl-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 28868956
(4S)-5-cyano-2-methyl-N-(2-methylphenyl)-6-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 98368322
(4R)-5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-1,4-dihydropyridine-3-carboxamide
CID 1142232
(4R)-5-cyano-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 98135146
(4R)-6-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 1282780
5-cyano-6-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 3779868
6-[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 5130770
6-benzylsulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CID 2835601
methyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
CID 2835613
(4R)-5-cyano-2-methyl-6-methylsulfanyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
CID 51380859

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide (CID 2840964) is 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide is CSC1=C(C#N)C(c2cccs2)C(C(=O)Nc2ccccc2C)=C(C)N1.
What is the InChIKey of 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
The InChIKey is SJHJOUOICQCBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-12-7-4-5-8-15(12)23-19(24)17-13(2)22-20(25-3)14(11-21)18(17)16-9-6-10-26-16/h4-10,18,22H,1-3H3,(H,23,24).
What are the key properties of 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide?
5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 381.53 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 2840964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).