N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide

C20H18N2O3S — CID 27619445

IUPACN'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sccc2-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-2-25-16-10-8-15(9-11-16)19(23)21-22-20(24)18-17(12-13-26-18)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyWQRXEIAHZAMVOR-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.89
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide

N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide (PubChem CID 27619445) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide
PubChem CID27619445
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sccc2-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-2-25-16-10-8-15(9-11-16)19(23)21-22-20(24)18-17(12-13-26-18)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,23)(H,22,24)
InChIKeyWQRXEIAHZAMVOR-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethoxyphenoxy)propanoyl]-3-(4-methylphenyl)thiophene-2-carbohydrazide
CID 55388431
4-ethoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 4949130
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylthiophene-2-carboxamide
CID 18274982
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9086470
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N'-(4-ethoxybenzoyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 51310436
2-benzyl-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187389

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide (CID 27619445) is N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2sccc2-c2ccccc2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide?
The InChIKey is WQRXEIAHZAMVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-2-25-16-10-8-15(9-11-16)19(23)21-22-20(24)18-17(12-13-26-18)14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide?
N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide has a molecular weight of 366.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide is sourced from PubChem (CID 27619445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).