3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide

C17H18N2O5S — CID 1416483

IUPAC3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C=Cc2cccs2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O5S/c1-22-13-9-11(10-14(23-2)16(13)24-3)17(21)19-18-15(20)7-6-12-5-4-8-25-12/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyKXEZNFJPULEXLW-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.25
Rot. Bonds6

About 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide

3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide (PubChem CID 1416483) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
PubChem CID1416483
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C=Cc2cccs2)cc(OC)c1OC
InChIInChI=1S/C17H18N2O5S/c1-22-13-9-11(10-14(23-2)16(13)24-3)17(21)19-18-15(20)7-6-12-5-4-8-25-12/h4-10H,1-3H3,(H,18,20)(H,19,21)
InChIKeyKXEZNFJPULEXLW-UHFFFAOYSA-N
XLogP2.25
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
4-ethyl-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 8879645
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
CID 9273647
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
CID 2469632
N'-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4789480
(E)-N-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 887907
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 2418056
N'-(3-iodobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 2715629
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide (CID 1416483) is 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)C=Cc2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide?
The InChIKey is KXEZNFJPULEXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-22-13-9-11(10-14(23-2)16(13)24-3)17(21)19-18-15(20)7-6-12-5-4-8-25-12/h4-10H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide?
3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide has a molecular weight of 362.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide is sourced from PubChem (CID 1416483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).