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

C15H17NO2S — CID 10333620

IUPACN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2scc(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C15H17NO2S/c1-18-12-4-5-14-13(8-12)11(9-19-14)6-7-16-15(17)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyLLQOSVBXLRZEOL-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.98
Rot. Bonds5

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

N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide (PubChem CID 10333620) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide
PubChem CID10333620
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1ccc2scc(CCNC(=O)C3CC3)c2c1
InChIInChI=1S/C15H17NO2S/c1-18-12-4-5-14-13(8-12)11(9-19-14)6-7-16-15(17)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyLLQOSVBXLRZEOL-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.98
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]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide (CID 10333620) is N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide is COc1ccc2scc(CCNC(=O)C3CC3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is LLQOSVBXLRZEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-18-12-4-5-14-13(8-12)11(9-19-14)6-7-16-15(17)10-2-3-10/h4-5,8-10H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide?
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 275.37 g/mol, XLogP of 2.98, 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]cyclopropanecarboxamide is sourced from PubChem (CID 10333620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).