(4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide

C23H23N3OS — CID 7070894

IUPAC(4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide
SMILESCCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1C#N
InChIInChI=1S/C23H23N3OS/c1-3-14-28-23-19(15-24)21(17-10-6-4-7-11-17)20(16(2)25-23)22(27)26-18-12-8-5-9-13-18/h4-13,19,21H,3,14H2,1-2H3,(H,26,27)/t19?,21-/m1/s1
InChIKeyRVQFLBOIMYGUIX-VGAJERRHSA-N
MW389.52 g/mol
LogP5.38
Rot. Bonds5

About (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide

(4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide (PubChem CID 7070894) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name(4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide
PubChem CID7070894
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC Name(4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide
SMILESCCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1C#N
InChIInChI=1S/C23H23N3OS/c1-3-14-28-23-19(15-24)21(17-10-6-4-7-11-17)20(16(2)25-23)22(27)26-18-12-8-5-9-13-18/h4-13,19,21H,3,14H2,1-2H3,(H,26,27)/t19?,21-/m1/s1
InChIKeyRVQFLBOIMYGUIX-VGAJERRHSA-N
XLogP5.38
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-(2-amino-2-oxoethyl)sulfanyl-3-cyano-4-(4-ethoxyphenyl)-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide
CID 6983754
(4S)-3-cyano-4-(furan-2-yl)-2-hexylsulfanyl-6-methyl-N-phenyl-3,4-dihydropyridine-5-carboxamide
CID 7336575
N-(4-chlorophenyl)-3-cyano-6-methyl-2-methylsulfanyl-4-phenyl-3,4-dihydropyridine-5-carboxamide
CID 91238189
3-cyano-6-methyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-phenyl-3,4-dihydropyridine-5-carboxamide
CID 91182231
3-cyano-2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-6-methyl-N-phenyl-4-thiophen-3-yl-3,4-dihydropyridine-5-carboxamide
CID 91117925
(4S)-3-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-6-methyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide
CID 7080004
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-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
(4S)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
CID 34317961
3-cyano-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-3,4-dihydropyridine-5-carboxamide
CID 91089636
(4R)-3-cyano-N-(2-methoxyphenyl)-6-methyl-2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-4-(5-methylfuran-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 134715953

Frequently Asked Questions

What is the IUPAC name of (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide (CID 7070894) is (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide is CCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C1C#N.
What is the InChIKey of (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide?
The InChIKey is RVQFLBOIMYGUIX-VGAJERRHSA-N. The full InChI is InChI=1S/C23H23N3OS/c1-3-14-28-23-19(15-24)21(17-10-6-4-7-11-17)20(16(2)25-23)22(27)26-18-12-8-5-9-13-18/h4-13,19,21H,3,14H2,1-2H3,(H,26,27)/t19?,21-/m1/s1.
What are the key properties of (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide?
(4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-cyano-6-methyl-N,4-diphenyl-2-propylsulfanyl-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 7070894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).