N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide

C20H18N2O2S — CID 9479339

IUPACN'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C20H18N2O2S/c23-19(21-22-20(24)18-12-7-13-25-18)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14H2,(H,21,23)(H,22,24)
InChIKeyFJYOLBQGVXBUQL-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.73
Rot. Bonds5

About N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide

N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide (PubChem CID 9479339) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
PubChem CID9479339
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C20H18N2O2S/c23-19(21-22-20(24)18-12-7-13-25-18)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14H2,(H,21,23)(H,22,24)
InChIKeyFJYOLBQGVXBUQL-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
CID 9479293
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N'-[(2S)-2-phenyl-2-phenylsulfanylacetyl]thiophene-2-carbohydrazide
CID 7600839
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
CID 62826028
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-phenoxyacetate
CID 3876775
2-oxo-N-phenyl-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
CID 171982887
N'-(1-phenylethenyl)thiophene-2-carbohydrazide
CID 2715132

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide (CID 9479339) is N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide is O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide?
The InChIKey is FJYOLBQGVXBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-19(21-22-20(24)18-12-7-13-25-18)14-17(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17H,14H2,(H,21,23)(H,22,24).
What are the key properties of N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide?
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide has a molecular weight of 350.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 9479339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).