4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide

C19H17N3O3S2 — CID 4792638

IUPAC4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C19H17N3O3S2/c23-14(15-7-3-11-26-15)8-9-17(24)21-22-18(25)12-27-16-6-1-4-13-5-2-10-20-19(13)16/h1-7,10-11H,8-9,12H2,(H,21,24)(H,22,25)
InChIKeyPPRDZALSMNCWGE-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.20
Rot. Bonds7

About 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide

4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide (PubChem CID 4792638) has the molecular formula C19H17N3O3S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide.

Molecular Properties

Compound Name4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide
PubChem CID4792638
Molecular FormulaC19H17N3O3S2
Molecular Weight399.50 g/mol
Exact Mass399.07
IUPAC Name4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide
SMILESO=C(CCC(=O)c1cccs1)NNC(=O)CSc1cccc2cccnc12
InChIInChI=1S/C19H17N3O3S2/c23-14(15-7-3-11-26-15)8-9-17(24)21-22-18(25)12-27-16-6-1-4-13-5-2-10-20-19(13)16/h1-7,10-11H,8-9,12H2,(H,21,24)(H,22,25)
InChIKeyPPRDZALSMNCWGE-UHFFFAOYSA-N
XLogP3.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 34056452
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(1S,2S)-2-methylcyclohexyl]-2-quinolin-8-ylsulfanylacetamide
CID 1276988
1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea
CID 8766554
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-4-thiophen-2-ylbutanamide
CID 25355039
N-(2,5-dimethylphenyl)-2-quinolin-8-ylsulfanylacetamide
CID 1121409
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 135673668
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide?
The IUPAC name of 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide (CID 4792638) is 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide.
What is the SMILES notation for 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide?
The canonical SMILES for 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide is O=C(CCC(=O)c1cccs1)NNC(=O)CSc1cccc2cccnc12.
What is the InChIKey of 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide?
The InChIKey is PPRDZALSMNCWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S2/c23-14(15-7-3-11-26-15)8-9-17(24)21-22-18(25)12-27-16-6-1-4-13-5-2-10-20-19(13)16/h1-7,10-11H,8-9,12H2,(H,21,24)(H,22,25).
What are the key properties of 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide?
4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide has a molecular weight of 399.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-(2-quinolin-8-ylsulfanylacetyl)-4-thiophen-2-ylbutanehydrazide is sourced from PubChem (CID 4792638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).