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

C14H19NO2S — CID 154883914

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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Related Compounds

1-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 154581683
N-[(4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl)methyl]cyclopentanecarboxamide
CID 134160415
2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide
CID 154581663
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-1-methyltriazole-4-carboxamide
CID 154583653
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 154884064
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 154583838
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
N-[(4-chloro-1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methylcyclohexane-1-carboxamide;propane
CID 164538113
N-[(1-aminocyclopentyl)methyl]cyclobutanecarboxamide
CID 164661339
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 90496727

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).