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N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide

C14H19NO2S — CID 154883914

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(O)CCCc2sccc21)C1CCC1
InChIInChI=1S/C14H19NO2S/c16-13(10-3-1-4-10)15-9-14(17)7-2-5-12-11(14)6-8-18-12/h6,8,10,17H,1-5,7,9H2,(H,15,16)
InChIKeyWLHVHGVBQURKFO-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.19
Rot. Bonds3

About N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide

N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide (PubChem CID 154883914) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide
PubChem CID154883914
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide
SMILESO=C(NCC1(O)CCCc2sccc21)C1CCC1
InChIInChI=1S/C14H19NO2S/c16-13(10-3-1-4-10)15-9-14(17)7-2-5-12-11(14)6-8-18-12/h6,8,10,17H,1-5,7,9H2,(H,15,16)
InChIKeyWLHVHGVBQURKFO-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide (CID 154883914) is N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide is O=C(NCC1(O)CCCc2sccc21)C1CCC1.
What is the InChIKey of N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide?
The InChIKey is WLHVHGVBQURKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13(10-3-1-4-10)15-9-14(17)7-2-5-12-11(14)6-8-18-12/h6,8,10,17H,1-5,7,9H2,(H,15,16).
What are the key properties of N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide?
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]cyclobutanecarboxamide is sourced from PubChem (CID 154883914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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