4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

C17H18N2O4S — CID 9439958

IUPAC4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1OC
InChIInChI=1S/C17H18N2O4S/c1-3-23-14-8-6-12(11-15(14)22-2)17(21)19-18-16(20)9-7-13-5-4-10-24-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)/b9-7+
InChIKeyJDWGABGIQMOXSJ-VQHVLOKHSA-N
MW346.41 g/mol
LogP2.63
Rot. Bonds6

About 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (PubChem CID 9439958) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
PubChem CID9439958
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1OC
InChIInChI=1S/C17H18N2O4S/c1-3-23-14-8-6-12(11-15(14)22-2)17(21)19-18-16(20)9-7-13-5-4-10-24-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)/b9-7+
InChIKeyJDWGABGIQMOXSJ-VQHVLOKHSA-N
XLogP2.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
CID 1416483
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645
4-ethoxy-3-methoxy-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 51162629
N'-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 24609581
4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922928
N'-(4-ethoxy-3-methoxybenzoyl)-3-pyrrol-1-ylthiophene-2-carbohydrazide
CID 24623987
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
3-ethoxy-N,N-dimethyl-4-(3-thiophen-2-ylprop-2-enoylamino)benzamide
CID 71977432
(E)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 61015357
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (CID 9439958) is 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The InChIKey is JDWGABGIQMOXSJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-23-14-8-6-12(11-15(14)22-2)17(21)19-18-16(20)9-7-13-5-4-10-24-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)/b9-7+.
What are the key properties of 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide has a molecular weight of 346.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9439958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).