[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate

C20H16N2O3S — CID 1177176

IUPAC[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(C=NNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H16N2O3S/c1-14(23)25-18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-21-22-20(24)19-3-2-12-26-19/h2-13H,1H3,(H,22,24)
InChIKeyOVUFJJJWRPXZDA-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.10
Rot. Bonds5

About [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate

[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate (PubChem CID 1177176) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
PubChem CID1177176
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(C=NNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C20H16N2O3S/c1-14(23)25-18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-21-22-20(24)19-3-2-12-26-19/h2-13H,1H3,(H,22,24)
InChIKeyOVUFJJJWRPXZDA-UHFFFAOYSA-N
XLogP4.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 4135348
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 5083790
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 3639611
N-[[4-(dimethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 773960
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 5402013
N-[(3,5-dimethoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 2643472
[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110509291
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiophene-2-carboxamide
CID 5402047
[4-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110506028
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1356844

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate?
The IUPAC name of [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate (CID 1177176) is [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate.
What is the SMILES notation for [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate?
The canonical SMILES for [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2ccc(C=NNC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate?
The InChIKey is OVUFJJJWRPXZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-14(23)25-18-10-8-17(9-11-18)16-6-4-15(5-7-16)13-21-22-20(24)19-3-2-12-26-19/h2-13H,1H3,(H,22,24).
What are the key properties of [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate?
[4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate has a molecular weight of 364.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl]phenyl] acetate is sourced from PubChem (CID 1177176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).