N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide

C16H19NO2S — CID 10379422

IUPACN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2scc(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C16H19NO2S/c1-19-13-5-6-15-14(9-13)12(10-20-15)7-8-17-16(18)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeySGXJFXCOIAMXQG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide

N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide (PubChem CID 10379422) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide
PubChem CID10379422
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2scc(CCNC(=O)C3CCC3)c2c1
InChIInChI=1S/C16H19NO2S/c1-19-13-5-6-15-14(9-13)12(10-20-15)7-8-17-16(18)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeySGXJFXCOIAMXQG-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide (CID 10379422) is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide is COc1ccc2scc(CCNC(=O)C3CCC3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is SGXJFXCOIAMXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-19-13-5-6-15-14(9-13)12(10-20-15)7-8-17-16(18)11-3-2-4-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide?
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 10379422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).