[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate

C30H27N3O5S — CID 6065644

IUPAC[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccs1
InChIInChI=1S/C30H27N3O5S/c1-2-37-25-18-21(15-16-24(25)38-30(36)26-14-9-17-39-26)19-32-33-27(34)20-31-29(35)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-19,28H,2,20H2,1H3,(H,31,35)(H,33,34)/b32-19-
InChIKeyYOSGHSGHFGTTPU-MZFJOGFUSA-N
MW541.63 g/mol
LogP4.76
Rot. Bonds11

About [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate

[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate (PubChem CID 6065644) has the molecular formula C30H27N3O5S and a molecular weight of 541.63 g/mol. Its IUPAC name is [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate
PubChem CID6065644
Molecular FormulaC30H27N3O5S
Molecular Weight541.63 g/mol
Exact Mass541.17
IUPAC Name[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate
SMILESCCOc1cc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccs1
InChIInChI=1S/C30H27N3O5S/c1-2-37-25-18-21(15-16-24(25)38-30(36)26-14-9-17-39-26)19-32-33-27(34)20-31-29(35)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-19,28H,2,20H2,1H3,(H,31,35)(H,33,34)/b32-19-
InChIKeyYOSGHSGHFGTTPU-MZFJOGFUSA-N
XLogP4.76
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.63
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[2-ethoxy-4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 41285226
[2-ethoxy-4-[(E)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 5340882
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4234039
[2-ethoxy-4-[(E)-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6883130
[2-ethoxy-4-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 5340935
[2-ethoxy-4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 3128062
[4-[[(2-benzamido-3-thiophen-2-ylprop-2-enoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate
CID 5097372
[2-ethoxy-4-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 11837865
[4-[(E)-[[2-(2-bromo-4-nitrophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate
CID 19577649
[2-ethoxy-4-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 4230419
[2-ethoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3667299
[4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 6910086

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate (CID 6065644) is [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate is CCOc1cc(/C=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC(=O)c1cccs1.
What is the InChIKey of [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate?
The InChIKey is YOSGHSGHFGTTPU-MZFJOGFUSA-N. The full InChI is InChI=1S/C30H27N3O5S/c1-2-37-25-18-21(15-16-24(25)38-30(36)26-14-9-17-39-26)19-32-33-27(34)20-31-29(35)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-19,28H,2,20H2,1H3,(H,31,35)(H,33,34)/b32-19-.
What are the key properties of [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate?
[4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate has a molecular weight of 541.63 g/mol, XLogP of 4.76, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] thiophene-2-carboxylate is sourced from PubChem (CID 6065644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).