2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide

C20H24N2O2S — CID 100699932

IUPAC2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
SMILESO=C(CSCc1ccccc1)N[C@@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H24N2O2S/c23-19(15-25-14-16-5-2-1-3-6-16)22-20(17-8-11-24-12-9-17)18-7-4-10-21-13-18/h1-7,10,13,17,20H,8-9,11-12,14-15H2,(H,22,23)/t20-/m1/s1
InChIKeyRAUKUGCOKNCQEO-HXUWFJFHSA-N
MW356.49 g/mol
LogP3.60
Rot. Bonds7

About 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide

2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide (PubChem CID 100699932) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
PubChem CID100699932
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
SMILESO=C(CSCc1ccccc1)N[C@@H](c1cccnc1)C1CCOCC1
InChIInChI=1S/C20H24N2O2S/c23-19(15-25-14-16-5-2-1-3-6-16)22-20(17-8-11-24-12-9-17)18-7-4-10-21-13-18/h1-7,10,13,17,20H,8-9,11-12,14-15H2,(H,22,23)/t20-/m1/s1
InChIKeyRAUKUGCOKNCQEO-HXUWFJFHSA-N
XLogP3.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 52501297
N-[cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47031415
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
3-[3-(4-fluorophenoxy)phenyl]-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 124761427
3-(2-chloro-6-fluorophenyl)-N-[oxan-4-yl(pyridin-3-yl)methyl]propanamide
CID 91629768
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide (CID 100699932) is 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide is O=C(CSCc1ccccc1)N[C@@H](c1cccnc1)C1CCOCC1.
What is the InChIKey of 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The InChIKey is RAUKUGCOKNCQEO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-19(15-25-14-16-5-2-1-3-6-16)22-20(17-8-11-24-12-9-17)18-7-4-10-21-13-18/h1-7,10,13,17,20H,8-9,11-12,14-15H2,(H,22,23)/t20-/m1/s1.
What are the key properties of 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide?
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide has a molecular weight of 356.49 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 100699932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).