N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide

C19H18N2O3S — CID 9086470

IUPACN'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2C)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-24-14-10-8-13(9-11-14)18(22)20-21-19(23)17-12(2)15-6-4-5-7-16(15)25-17/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySENTZTJANOIKHE-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.68
Rot. Bonds4

About N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide

N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide (PubChem CID 9086470) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
PubChem CID9086470
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2C)cc1
InChIInChI=1S/C19H18N2O3S/c1-3-24-14-10-8-13(9-11-14)18(22)20-21-19(23)17-12(2)15-6-4-5-7-16(15)25-17/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySENTZTJANOIKHE-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.68
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'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9088688
N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9085904
3-chloro-N'-(4-phenylmethoxybenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4933136
N'-(3-chlorobenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9086688
2-chloro-N-[5-[[(4-ethoxybenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55734380
N'-(4-ethoxybenzoyl)-3-phenylthiophene-2-carbohydrazide
CID 27619445
N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 56534565
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9091776
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
N'-(4-ethoxybenzoyl)-4,5-dimethylthiophene-2-carbohydrazide
CID 35768961
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide (CID 9086470) is N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2C)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is SENTZTJANOIKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-3-24-14-10-8-13(9-11-14)18(22)20-21-19(23)17-12(2)15-6-4-5-7-16(15)25-17/h4-11H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide?
N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 354.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 9086470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).