(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide

C15H16N2O3S — CID 99802302

IUPAC(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1O
InChIInChI=1S/C15H16N2O3S/c1-10(21-14-5-3-4-8-16-14)15(19)17-11-6-7-13(20-2)12(18)9-11/h3-10,18H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyQPIZFKFGVBPCJW-SNVBAGLBSA-N
MW304.37 g/mol
LogP2.92
Rot. Bonds5

About (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide

(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 99802302) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID99802302
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1O
InChIInChI=1S/C15H16N2O3S/c1-10(21-14-5-3-4-8-16-14)15(19)17-11-6-7-13(20-2)12(18)9-11/h3-10,18H,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyQPIZFKFGVBPCJW-SNVBAGLBSA-N
XLogP2.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 43187475
(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 40821848
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 46497943
1-(3,4-dimethoxyphenyl)-2-pyridin-2-ylsulfanylpropan-1-one
CID 60603755
(2S)-N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 40507810
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 4102205
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide (CID 99802302) is (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide is COc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1O.
What is the InChIKey of (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is QPIZFKFGVBPCJW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(21-14-5-3-4-8-16-14)15(19)17-11-6-7-13(20-2)12(18)9-11/h3-10,18H,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide?
(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 304.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 99802302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).