N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide

C16H18N2OS — CID 51234191

IUPACN-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Sc1ccccn1
InChIInChI=1S/C16H18N2OS/c1-11-7-6-8-12(2)15(11)18-16(19)13(3)20-14-9-4-5-10-17-14/h4-10,13H,1-3H3,(H,18,19)
InChIKeyLCUPZVALLSSCCU-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.82
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide

N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 51234191) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID51234191
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)Sc1ccccn1
InChIInChI=1S/C16H18N2OS/c1-11-7-6-8-12(2)15(11)18-16(19)13(3)20-14-9-4-5-10-17-14/h4-10,13H,1-3H3,(H,18,19)
InChIKeyLCUPZVALLSSCCU-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813082
(2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-dimethylphenyl)propanamide
CID 865761
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 75850905
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
N-(2-butan-2-ylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46544190

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide (CID 51234191) is N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide is Cc1cccc(C)c1NC(=O)C(C)Sc1ccccn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is LCUPZVALLSSCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-7-6-8-12(2)15(11)18-16(19)13(3)20-14-9-4-5-10-17-14/h4-10,13H,1-3H3,(H,18,19).
What are the key properties of N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 51234191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).