N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide

C19H20N2O3S — CID 9479209

IUPACN'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NNC(=O)c1cccs1
InChIInChI=1S/C19H20N2O3S/c22-16(15-8-7-13-4-1-2-5-14(13)12-15)9-10-18(23)20-21-19(24)17-6-3-11-25-17/h3,6-8,11-12H,1-2,4-5,9-10H2,(H,20,23)(H,21,24)
InChIKeyOWCSZOVSUWQPDK-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.05
Rot. Bonds5

About N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide

N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide (PubChem CID 9479209) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
PubChem CID9479209
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCCC2)NNC(=O)c1cccs1
InChIInChI=1S/C19H20N2O3S/c22-16(15-8-7-13-4-1-2-5-14(13)12-15)9-10-18(23)20-21-19(24)17-6-3-11-25-17/h3,6-8,11-12H,1-2,4-5,9-10H2,(H,20,23)(H,21,24)
InChIKeyOWCSZOVSUWQPDK-UHFFFAOYSA-N
XLogP3.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 2487694
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 9116198
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 9066291
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 31110441
N'-(4-oxo-4-phenylbutanoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9301275
1-benzyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]thiourea
CID 31529199
1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 90354576
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784

Frequently Asked Questions

What is the IUPAC name of N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide (CID 9479209) is N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide is O=C(CCC(=O)c1ccc2c(c1)CCCC2)NNC(=O)c1cccs1.
What is the InChIKey of N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide?
The InChIKey is OWCSZOVSUWQPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-16(15-8-7-13-4-1-2-5-14(13)12-15)9-10-18(23)20-21-19(24)17-6-3-11-25-17/h3,6-8,11-12H,1-2,4-5,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide?
N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide has a molecular weight of 356.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 9479209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).