2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

C20H24N2O2S — CID 55609530

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC(C)C2CCCO2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-13-8-9-18(14(2)12-13)25-20-16(6-4-10-21-20)19(23)22-15(3)17-7-5-11-24-17/h4,6,8-10,12,15,17H,5,7,11H2,1-3H3,(H,22,23)
InChIKeyWMKVSBFNNGOZET-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.15
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 55609530) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID55609530
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NC(C)C2CCCO2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-13-8-9-18(14(2)12-13)25-20-16(6-4-10-21-20)19(23)22-15(3)17-7-5-11-24-17/h4,6,8-10,12,15,17H,5,7,11H2,1-3H3,(H,22,23)
InChIKeyWMKVSBFNNGOZET-UHFFFAOYSA-N
XLogP4.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55848235
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
methyl 1-[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxylate
CID 51153841
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
2-(2,4-dimethylphenyl)sulfanyl-N-(4-morpholin-4-ylbutyl)pyridine-3-carboxamide
CID 55848827
2-(2-bromo-4-fluorophenoxy)-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 71893565
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide (CID 55609530) is 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NC(C)C2CCCO2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is WMKVSBFNNGOZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13-8-9-18(14(2)12-13)25-20-16(6-4-10-21-20)19(23)22-15(3)17-7-5-11-24-17/h4,6,8-10,12,15,17H,5,7,11H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55609530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).