(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide

C17H20N2OS — CID 674012

IUPAC(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-9-12(2)16(13(3)10-11)19-17(20)14(4)21-15-7-5-6-8-18-15/h5-10,14H,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyGOBHPASRWREDCO-CQSZACIVSA-N
MW300.43 g/mol
LogP4.13
Rot. Bonds4

About (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide

(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 674012) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID674012
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-9-12(2)16(13(3)10-11)19-17(20)14(4)21-15-7-5-6-8-18-15/h5-10,14H,1-4H3,(H,19,20)/t14-/m1/s1
InChIKeyGOBHPASRWREDCO-CQSZACIVSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 92742238
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 8813082
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179
(2R)-N-(2-phenylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 40550522
(2S)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 1242345
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide (CID 674012) is (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccccn2)c(C)c1.
What is the InChIKey of (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is GOBHPASRWREDCO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-9-12(2)16(13(3)10-11)19-17(20)14(4)21-15-7-5-6-8-18-15/h5-10,14H,1-4H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide?
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 674012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).