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

C16H16N2O2S — CID 8879645

IUPAC4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-12-5-7-13(8-6-12)16(20)18-17-15(19)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)/b10-9+
InChIKeyZCTMKGBSLPSPTN-MDZDMXLPSA-N
MW300.38 g/mol
LogP2.78
Rot. Bonds4

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

4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (PubChem CID 8879645) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
PubChem CID8879645
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1
InChIInChI=1S/C16H16N2O2S/c1-2-12-5-7-13(8-6-12)16(20)18-17-15(19)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)/b10-9+
InChIKeyZCTMKGBSLPSPTN-MDZDMXLPSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922928
4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
2-methyl-N-[4-[(3-thiophen-2-ylprop-2-enoylamino)carbamoyl]phenyl]benzamide
CID 3391223
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
CID 78537225
3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
CID 1416483
N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1416489
4-ethyl-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 7910580
N-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 5116973
4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 24698656
4-tert-butyl-N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide
CID 6274889
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
CID 9377264

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The IUPAC name of 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (CID 8879645) is 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is CCc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1.
What is the InChIKey of 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The InChIKey is ZCTMKGBSLPSPTN-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-12-5-7-13(8-6-12)16(20)18-17-15(19)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)/b10-9+.
What are the key properties of 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide has a molecular weight of 300.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 8879645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).