(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone

C13H13NO2S — CID 115793463

IUPAC(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
SMILESCCc1ccc(C(=O)c2cncc(OC)c2)s1
InChIInChI=1S/C13H13NO2S/c1-3-11-4-5-12(17-11)13(15)9-6-10(16-2)8-14-7-9/h4-8H,3H2,1-2H3
InChIKeyRXEWCEACSPOSMS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.95
Rot. Bonds4

About (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone

(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone (PubChem CID 115793463) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
PubChem CID115793463
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
SMILESCCc1ccc(C(=O)c2cncc(OC)c2)s1
InChIInChI=1S/C13H13NO2S/c1-3-11-4-5-12(17-11)13(15)9-6-10(16-2)8-14-7-9/h4-8H,3H2,1-2H3
InChIKeyRXEWCEACSPOSMS-UHFFFAOYSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone (CID 115793463) is (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone is CCc1ccc(C(=O)c2cncc(OC)c2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is RXEWCEACSPOSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-3-11-4-5-12(17-11)13(15)9-6-10(16-2)8-14-7-9/h4-8H,3H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone?
(5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 247.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115793463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).