(4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide

C24H27N3O2S — CID 7336575

IUPAC(4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide
SMILESCCCCCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C1C#N
InChIInChI=1S/C24H27N3O2S/c1-3-4-5-9-15-30-24-19(16-25)22(20-13-10-14-29-20)21(17(2)26-24)23(28)27-18-11-7-6-8-12-18/h6-8,10-14,19,22H,3-5,9,15H2,1-2H3,(H,27,28)/t19?,22-/m1/s1
InChIKeyURDREAUOOBCDKA-AVKWCDSFSA-N
MW421.57 g/mol
LogP6.14
Rot. Bonds8

About (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide

(4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide (PubChem CID 7336575) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide
PubChem CID7336575
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name(4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide
SMILESCCCCCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C1C#N
InChIInChI=1S/C24H27N3O2S/c1-3-4-5-9-15-30-24-19(16-25)22(20-13-10-14-29-20)21(17(2)26-24)23(28)27-18-11-7-6-8-12-18/h6-8,10-14,19,22H,3-5,9,15H2,1-2H3,(H,27,28)/t19?,22-/m1/s1
InChIKeyURDREAUOOBCDKA-AVKWCDSFSA-N
XLogP6.14
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-6-methyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide
CID 7080004
(4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide
CID 7070894
2-butylsulfanyl-3-cyano-N,4-bis(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide
CID 91283570
3-cyano-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-methyl-N-phenyl-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide
CID 74723515
N-(4-chlorophenyl)-3-cyano-6-methyl-2-methylsulfanyl-4-phenyl-3,4-dihydropyridine-5-carboxamide
CID 91238189
3-cyano-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-6-methyl-N-phenyl-4-thiophen-3-yl-3,4-dihydropyridine-5-carboxamide
CID 91117925
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-3-cyano-6-methyl-N-phenyl-4-thiophen-3-yl-3,4-dihydropyridine-5-carboxamide
CID 91000240
2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
CID 15015989
ethyl 2-[[(4R)-3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
CID 1121521
S-heptyl N-phenylcarbamothioate
CID 118643411
2-butylsulfanyl-7-(furan-2-yl)-5-methyl-N-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135694006
hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342

Frequently Asked Questions

What is the IUPAC name of (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide (CID 7336575) is (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide is CCCCCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C1C#N.
What is the InChIKey of (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide?
The InChIKey is URDREAUOOBCDKA-AVKWCDSFSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-4-5-9-15-30-24-19(16-25)22(20-13-10-14-29-20)21(17(2)26-24)23(28)27-18-11-7-6-8-12-18/h6-8,10-14,19,22H,3-5,9,15H2,1-2H3,(H,27,28)/t19?,22-/m1/s1.
What are the key properties of (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide?
(4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 7336575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).