N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide

C17H20N2O3S — CID 91759680

IUPACN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C17H20N2O3S/c20-17(9-13-5-8-23-12-13)19-15-4-7-21-11-16(15)22-10-14-3-1-2-6-18-14/h1-3,5-6,8,12,15-16H,4,7,9-11H2,(H,19,20)/t15-,16-/m1/s1
InChIKeyOQUUYUKLWKTHPA-HZPDHXFCSA-N
MW332.42 g/mol
LogP2.18
Rot. Bonds6

About N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide

N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide (PubChem CID 91759680) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
PubChem CID91759680
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCc1ccccn1
InChIInChI=1S/C17H20N2O3S/c20-17(9-13-5-8-23-12-13)19-15-4-7-21-11-16(15)22-10-14-3-1-2-6-18-14/h1-3,5-6,8,12,15-16H,4,7,9-11H2,(H,19,20)/t15-,16-/m1/s1
InChIKeyOQUUYUKLWKTHPA-HZPDHXFCSA-N
XLogP2.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 156609865
2-acetamido-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91767025
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91769435
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91771200
2-(4-methoxyphenyl)-N-[(3S,4S)-4-(pyridin-2-ylmethoxy)oxan-3-yl]acetamide
CID 164634817
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91766286
2-(4-methylpyrimidin-2-yl)sulfanyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]acetamide
CID 91782411
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
3-(3-oxo-1H-isoindol-2-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91764386
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide (CID 91759680) is N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCc1ccccn1.
What is the InChIKey of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
The InChIKey is OQUUYUKLWKTHPA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(9-13-5-8-23-12-13)19-15-4-7-21-11-16(15)22-10-14-3-1-2-6-18-14/h1-3,5-6,8,12,15-16H,4,7,9-11H2,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide?
N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide has a molecular weight of 332.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91759680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).