1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone

C16H13NO2S — CID 115793890

IUPAC1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C16H13NO2S/c1-2-19-13-7-12(9-17-10-13)16(18)15-8-11-5-3-4-6-14(11)20-15/h3-10H,2H2,1H3
InChIKeyUVZMXVIFJKQTQS-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.93
Rot. Bonds4

About 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone

1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone (PubChem CID 115793890) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone
PubChem CID115793890
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone
SMILESCCOc1cncc(C(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C16H13NO2S/c1-2-19-13-7-12(9-17-10-13)16(18)15-8-11-5-3-4-6-14(11)20-15/h3-10H,2H2,1H3
InChIKeyUVZMXVIFJKQTQS-UHFFFAOYSA-N
XLogP3.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl-(3-ethoxyphenyl)methanone
CID 115791389
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-benzothiophen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963979
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
1-benzothiophen-2-yl(pyrazin-2-yl)methanone
CID 114973147
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
CID 115793680
1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077
ethyl 2-[2-(1-benzothiophene-2-carbonyl)-4,5-diethoxyphenyl]acetate
CID 69459339
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone (CID 115793890) is 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone is CCOc1cncc(C(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone?
The InChIKey is UVZMXVIFJKQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-2-19-13-7-12(9-17-10-13)16(18)15-8-11-5-3-4-6-14(11)20-15/h3-10H,2H2,1H3.
What are the key properties of 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone?
1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone has a molecular weight of 283.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(5-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115793890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).