2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide

C18H20N2O4S — CID 91783421

IUPAC2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)cs1
InChIInChI=1S/C18H20N2O4S/c1-12(21)16-8-13(11-25-16)9-17(22)20-14-10-23-7-5-15(14)24-18-4-2-3-6-19-18/h2-4,6,8,11,14-15H,5,7,9-10H2,1H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyYUTHGKKKHOEZKP-HUUCEWRRSA-N
MW360.44 g/mol
LogP2.24
Rot. Bonds6

About 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide

2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide (PubChem CID 91783421) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
PubChem CID91783421
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
SMILESCC(=O)c1cc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)cs1
InChIInChI=1S/C18H20N2O4S/c1-12(21)16-8-13(11-25-16)9-17(22)20-14-10-23-7-5-15(14)24-18-4-2-3-6-19-18/h2-4,6,8,11,14-15H,5,7,9-10H2,1H3,(H,20,22)/t14-,15-/m1/s1
InChIKeyYUTHGKKKHOEZKP-HUUCEWRRSA-N
XLogP2.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide (CID 91783421) is 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide is CC(=O)c1cc(CC(=O)N[C@@H]2COCC[C@H]2Oc2ccccn2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
The InChIKey is YUTHGKKKHOEZKP-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12(21)16-8-13(11-25-16)9-17(22)20-14-10-23-7-5-15(14)24-18-4-2-3-6-19-18/h2-4,6,8,11,14-15H,5,7,9-10H2,1H3,(H,20,22)/t14-,15-/m1/s1.
What are the key properties of 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide?
2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide is sourced from PubChem (CID 91783421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).