3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide

C18H24N2O2S — CID 69486408

IUPAC3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide
SMILESO=C(CCc1csc2ccccc12)NNCCC1CCOCC1
InChIInChI=1S/C18H24N2O2S/c21-18(20-19-10-7-14-8-11-22-12-9-14)6-5-15-13-23-17-4-2-1-3-16(15)17/h1-4,13-14,19H,5-12H2,(H,20,21)
InChIKeyDPVYVEONZGMJEQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.27
Rot. Bonds7

About 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide

3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide (PubChem CID 69486408) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide
PubChem CID69486408
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide
SMILESO=C(CCc1csc2ccccc12)NNCCC1CCOCC1
InChIInChI=1S/C18H24N2O2S/c21-18(20-19-10-7-14-8-11-22-12-9-14)6-5-15-13-23-17-4-2-1-3-16(15)17/h1-4,13-14,19H,5-12H2,(H,20,21)
InChIKeyDPVYVEONZGMJEQ-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
1-(1-benzothiophen-3-yl)-4-cyclohexylbutan-2-one
CID 114965584
N-[2-(1-benzothiophen-3-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71868526
(2R)-2-[2-[3-(1-benzothiophen-3-yl)propanoyl]hydrazinyl]-3-phenylpropanamide
CID 69487131
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
2-(1-benzothiophen-3-yl)-N-[2-(oxan-4-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579765
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578
2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119296481
5-[2-(1-benzothiophen-3-yl)ethylamino]pentan-2-one
CID 115236729

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide?
The IUPAC name of 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide (CID 69486408) is 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide is O=C(CCc1csc2ccccc12)NNCCC1CCOCC1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide?
The InChIKey is DPVYVEONZGMJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c21-18(20-19-10-7-14-8-11-22-12-9-14)6-5-15-13-23-17-4-2-1-3-16(15)17/h1-4,13-14,19H,5-12H2,(H,20,21).
What are the key properties of 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide?
3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide has a molecular weight of 332.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-N'-[2-(oxan-4-yl)ethyl]propanehydrazide is sourced from PubChem (CID 69486408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).