(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone

C13H13NO3S — CID 115793680

IUPAC(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
SMILESCCOc1cncc(C(=O)c2sccc2OC)c1
InChIInChI=1S/C13H13NO3S/c1-3-17-10-6-9(7-14-8-10)12(15)13-11(16-2)4-5-18-13/h4-8H,3H2,1-2H3
InChIKeyFXFRVXWZWSEULS-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.78
Rot. Bonds5

About (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone

(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 115793680) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
PubChem CID115793680
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
SMILESCCOc1cncc(C(=O)c2sccc2OC)c1
InChIInChI=1S/C13H13NO3S/c1-3-17-10-6-9(7-14-8-10)12(15)13-11(16-2)4-5-18-13/h4-8H,3H2,1-2H3
InChIKeyFXFRVXWZWSEULS-UHFFFAOYSA-N
XLogP2.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-diethoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81121511
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189
1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone
CID 115793890
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(3-ethylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanone
CID 115791581

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone (CID 115793680) is (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone is CCOc1cncc(C(=O)c2sccc2OC)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is FXFRVXWZWSEULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-3-17-10-6-9(7-14-8-10)12(15)13-11(16-2)4-5-18-13/h4-8H,3H2,1-2H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone?
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 263.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 115793680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).