2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

C18H21N3OS — CID 97214559

IUPAC2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCS[C@H](c2ccccc2)C1)NCc1ccccn1
InChIInChI=1S/C18H21N3OS/c22-18(20-12-16-8-4-5-9-19-16)14-21-10-11-23-17(13-21)15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,20,22)/t17-/m0/s1
InChIKeyAFNSVIDKXBNLBF-KRWDZBQOSA-N
MW327.45 g/mol
LogP2.49
Rot. Bonds5

About 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 97214559) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID97214559
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCS[C@H](c2ccccc2)C1)NCc1ccccn1
InChIInChI=1S/C18H21N3OS/c22-18(20-12-16-8-4-5-9-19-16)14-21-10-11-23-17(13-21)15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,20,22)/t17-/m0/s1
InChIKeyAFNSVIDKXBNLBF-KRWDZBQOSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74242130
2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626413
(3S,4S)-1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72870323
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72894294
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291
2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95311404
2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96538815
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96512525

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 97214559) is 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1CCS[C@H](c2ccccc2)C1)NCc1ccccn1.
What is the InChIKey of 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AFNSVIDKXBNLBF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-18(20-12-16-8-4-5-9-19-16)14-21-10-11-23-17(13-21)15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,20,22)/t17-/m0/s1.
What are the key properties of 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 97214559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).