5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide

C24H21N3O2S2 — CID 2331043

IUPAC5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(S[C@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C24H21N3O2S2/c1-15-21(23(29)27-16-8-3-2-4-9-16)22(20-12-7-13-30-20)17(14-25)24(26-15)31-19-11-6-5-10-18(19)28/h2-4,7-9,12-13,19H,5-6,10-11H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyXCMYZNBHYABUBR-IBGZPJMESA-N
MW447.59 g/mol
LogP5.85
Rot. Bonds5

About 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide

5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide (PubChem CID 2331043) has the molecular formula C24H21N3O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide
PubChem CID2331043
Molecular FormulaC24H21N3O2S2
Molecular Weight447.59 g/mol
Exact Mass447.11
IUPAC Name5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide
SMILESCc1nc(S[C@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1
InChIInChI=1S/C24H21N3O2S2/c1-15-21(23(29)27-16-8-3-2-4-9-16)22(20-12-7-13-30-20)17(14-25)24(26-15)31-19-11-6-5-10-18(19)28/h2-4,7-9,12-13,19H,5-6,10-11H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyXCMYZNBHYABUBR-IBGZPJMESA-N
XLogP5.85
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

2-(2-oxocyclohexyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2942865
(6S)-6-methyl-3-[(1S)-2-oxocyclohexyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 97183661
5-cyano-4-(4-methoxyphenyl)-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 45032127
2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile
CID 2055802
2-amino-6-[(1S)-2-oxocyclohexyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 1282864
(2S)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one
CID 9361501
2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 18893841
2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1041832
6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-methyl-N-phenylpyridine-3-carboxamide
CID 45032130
(2R)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one
CID 9119991
2-[(3-cyano-4-thiophen-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(4-hydroxyphenyl)-3-methylbutanamide
CID 25154950
2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-hydroxyphenyl)acetamide
CID 25065638

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide (CID 2331043) is 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide is Cc1nc(S[C@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide?
The InChIKey is XCMYZNBHYABUBR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H21N3O2S2/c1-15-21(23(29)27-16-8-3-2-4-9-16)22(20-12-7-13-30-20)17(14-25)24(26-15)31-19-11-6-5-10-18(19)28/h2-4,7-9,12-13,19H,5-6,10-11H2,1H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide?
5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide has a molecular weight of 447.59 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-6-[(1S)-2-oxocyclohexyl]sulfanyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 2331043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).