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

C16H18N2O3S — CID 91791487

IUPACN-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C16H18N2O3S/c19-15(10-12-4-3-9-22-12)18-13-6-8-20-11-14(13)21-16-5-1-2-7-17-16/h1-5,7,9,13-14H,6,8,10-11H2,(H,18,19)/t13-,14-/m1/s1
InChIKeyWRMWXCKCONFKBA-ZIAGYGMSSA-N
MW318.40 g/mol
LogP2.04
Rot. Bonds5

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

N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 91791487) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
PubChem CID91791487
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1Oc1ccccn1
InChIInChI=1S/C16H18N2O3S/c19-15(10-12-4-3-9-22-12)18-13-6-8-20-11-14(13)21-16-5-1-2-7-17-16/h1-5,7,9,13-14H,6,8,10-11H2,(H,18,19)/t13-,14-/m1/s1
InChIKeyWRMWXCKCONFKBA-ZIAGYGMSSA-N
XLogP2.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]pentanediamide
CID 91790643
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
2-[methyl(pyridin-4-ylmethyl)amino]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91791415
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]acetamide
CID 91796712
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641
3-(oxazinan-2-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91787905
2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91783421
2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
CID 91772566
5-(methoxymethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]thiophene-2-carboxamide
CID 91785982
1-(pyrazol-1-ylmethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91770277
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
2-phenylmethoxy-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91761107

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide (CID 91791487) is N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1Oc1ccccn1.
What is the InChIKey of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is WRMWXCKCONFKBA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-15(10-12-4-3-9-22-12)18-13-6-8-20-11-14(13)21-16-5-1-2-7-17-16/h1-5,7,9,13-14H,6,8,10-11H2,(H,18,19)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide?
N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 318.40 g/mol, XLogP of 2.04, 5 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-yloxyoxan-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91791487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).