2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide

C19H22N2O2S — CID 124615544

IUPAC2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
SMILESO=C(CSC[C@@H]1CCCCO1)Nc1ncccc1-c1ccccc1
InChIInChI=1S/C19H22N2O2S/c22-18(14-24-13-16-9-4-5-12-23-16)21-19-17(10-6-11-20-19)15-7-2-1-3-8-15/h1-3,6-8,10-11,16H,4-5,9,12-14H2,(H,20,21,22)/t16-/m0/s1
InChIKeyPPWJTRXKYIOFAY-INIZCTEOSA-N
MW342.46 g/mol
LogP3.99
Rot. Bonds6

About 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide

2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide (PubChem CID 124615544) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
PubChem CID124615544
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide
SMILESO=C(CSC[C@@H]1CCCCO1)Nc1ncccc1-c1ccccc1
InChIInChI=1S/C19H22N2O2S/c22-18(14-24-13-16-9-4-5-12-23-16)21-19-17(10-6-11-20-19)15-7-2-1-3-8-15/h1-3,6-8,10-11,16H,4-5,9,12-14H2,(H,20,21,22)/t16-/m0/s1
InChIKeyPPWJTRXKYIOFAY-INIZCTEOSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
CID 124615556
2-[(2R,4S)-2-ethyloxan-4-yl]-N-(3-phenyl-2-pyridinyl)acetamide
CID 124885437
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 124606152
(2R)-2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]-3-phenylpropanoic acid
CID 119367033
2-[[2-(oxolan-2-yl)acetyl]amino]pyridine-3-carboxylic acid
CID 65157572
N-(3-amino-2-pyridinyl)-3-(oxan-2-yl)propanamide
CID 113391812
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079
2-(oxan-2-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 43241352
N-(3-bromo-1-methylpyrazol-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126833040
N-(2-methyl-5-oxo-1,2-oxazol-3-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126841566
N-(cyanomethyl)-2-(oxan-2-ylmethylsulfanyl)-N-pyridin-2-ylacetamide
CID 126832511
N-(1-ethyl-6-oxopyrimidin-5-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 126832616

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide (CID 124615544) is 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide is O=C(CSC[C@@H]1CCCCO1)Nc1ncccc1-c1ccccc1.
What is the InChIKey of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide?
The InChIKey is PPWJTRXKYIOFAY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(14-24-13-16-9-4-5-12-23-16)21-19-17(10-6-11-20-19)15-7-2-1-3-8-15/h1-3,6-8,10-11,16H,4-5,9,12-14H2,(H,20,21,22)/t16-/m0/s1.
What are the key properties of 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide?
2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxan-2-yl]methylsulfanyl]-N-(3-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 124615544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).