N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide

C20H20N2O3S — CID 9085904

IUPACN'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2C)cc1
InChIInChI=1S/C20H20N2O3S/c1-3-14-8-10-15(11-9-14)25-12-18(23)21-22-20(24)19-13(2)16-6-4-5-7-17(16)26-19/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGBCXFRJWFWLXRX-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.61
Rot. Bonds5

About N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide

N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide (PubChem CID 9085904) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide
PubChem CID9085904
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2C)cc1
InChIInChI=1S/C20H20N2O3S/c1-3-14-8-10-15(11-9-14)25-12-18(23)21-22-20(24)19-13(2)16-6-4-5-7-17(16)26-19/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGBCXFRJWFWLXRX-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.61
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'-(4-ethoxybenzoyl)-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9086470
3-chloro-N'-[2-(4-chlorophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3486238
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]-3-methyl-1-benzothiophene-2-carbohydrazide
CID 9088688
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324359
3-chloro-N'-(2-naphthalen-2-yloxyacetyl)-1-benzothiophene-2-carbohydrazide
CID 1010566
3-chloro-N'-[2-(4-nitrophenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 3510207
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N'-[2-(4-ethylphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26717724
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide (CID 9085904) is N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2sc3ccccc3c2C)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is GBCXFRJWFWLXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-14-8-10-15(11-9-14)25-12-18(23)21-22-20(24)19-13(2)16-6-4-5-7-17(16)26-19/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide?
N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 368.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]-3-methyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 9085904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).