N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide

C19H16N2O2S — CID 574179

IUPACN'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C19H16N2O2S/c22-18(16-12-7-13-24-16)20-21-19(23)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,20,22)(H,21,23)
InChIKeyDTTHAFLWMONYSH-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.34
Rot. Bonds4

About N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide

N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide (PubChem CID 574179) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide
PubChem CID574179
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C19H16N2O2S/c22-18(16-12-7-13-24-16)20-21-19(23)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,20,22)(H,21,23)
InChIKeyDTTHAFLWMONYSH-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.34
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

5-Methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 4961736
4-Cyano-3-methyl-5-phenylthiophene-2-carbohydrazide
CID 838334
N'-benzoylthiophene-2-carbohydrazide
CID 790437
3-Phenylthiophene-2-carboxamide
CID 22374565
1-Benzothiophene-2-carbohydrazide
CID 519437
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2616176
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
N'-[2-(4-bromophenyl)acetyl]thiophene-2-carbohydrazide
CID 4795272
N'-(4-fluorobenzoyl)-2,5-dimethylthiophene-3-carbohydrazide
CID 9105676
2-fluoro-N'-(3-phenylsulfanylpropanoyl)benzohydrazide
CID 9402867

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide (CID 574179) is N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide is O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide?
The InChIKey is DTTHAFLWMONYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(16-12-7-13-24-16)20-21-19(23)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,17H,(H,20,22)(H,21,23).
What are the key properties of N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide?
N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide has a molecular weight of 336.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylacetyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 574179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).