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

C18H26N2O2S — CID 91629793

IUPAC2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C18H26N2O2S/c21-17(13-23-16-5-1-2-6-16)20-18(14-7-10-22-11-8-14)15-4-3-9-19-12-15/h3-4,9,12,14,16,18H,1-2,5-8,10-11,13H2,(H,20,21)
InChIKeyRGYOPMKHPXOPSK-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.34
Rot. Bonds6

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

2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide (PubChem CID 91629793) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
PubChem CID91629793
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
SMILESO=C(CSC1CCCC1)NC(c1cccnc1)C1CCOCC1
InChIInChI=1S/C18H26N2O2S/c21-17(13-23-16-5-1-2-6-16)20-18(14-7-10-22-11-8-14)15-4-3-9-19-12-15/h3-4,9,12,14,16,18H,1-2,5-8,10-11,13H2,(H,20,21)
InChIKeyRGYOPMKHPXOPSK-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91885509
tert-butyl N-[(2S)-1-cyclohexyl-3-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]sulfanylpropan-2-yl]carbamate
CID 127052430
N-(3-morpholin-4-ylpropyl)-3-[(2-pyridin-4-ylethyl)thio]propanamide
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2-(2,4-difluorophenyl)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 91629817
[(S)-(3-pyridyl)(tetrahydro-4H-pyran-4-yl)methyl](3,3,3-trifluoropropylsulfonyl)amine
CID 100702856
2-(phenylmethylthio)-N-(3-pyridylmethyl)propanamide
CID 2898433
Zsy 27
CID 126908
N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)thiophene-3-carboxamide
CID 91629732
4-methyl-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 91629735
1-(methylsulfonyl)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)piperidine-4-carboxamide
CID 91629757
3-(phenylsulfonyl)-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)propanamide
CID 91629759
1-methyl-6-oxo-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)-1,6-dihydropyridazine-3-carboxamide
CID 91629784

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide (CID 91629793) is 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide is O=C(CSC1CCCC1)NC(c1cccnc1)C1CCOCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
The InChIKey is RGYOPMKHPXOPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17(13-23-16-5-1-2-6-16)20-18(14-7-10-22-11-8-14)15-4-3-9-19-12-15/h3-4,9,12,14,16,18H,1-2,5-8,10-11,13H2,(H,20,21).
What are the key properties of 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide has a molecular weight of 334.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 91629793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).