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

C16H18N2O5S — CID 2161657

IUPAC3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2cccs2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-21-12-7-10(8-13(22-2)15(12)23-3)16(20)18-17-14(19)9-11-5-4-6-24-11/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyCGZNHHTXXARYJF-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.78
Rot. Bonds6

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

3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide (PubChem CID 2161657) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
PubChem CID2161657
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2cccs2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-21-12-7-10(8-13(22-2)15(12)23-3)16(20)18-17-14(19)9-11-5-4-6-24-11/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyCGZNHHTXXARYJF-UHFFFAOYSA-N
XLogP1.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-benzothiophen-2-ylmethylideneamino]-3,4,5-trimethoxybenzamide
CID 145985329
N'-[3-(2-furyl)acryloyl]-3,4,5-trimethoxybenzohydrazide
CID 695831
4-methoxy-N'-(2-thienylacetyl)benzohydrazide
CID 748727
N-[(1E)-3-hydrazinyl-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]-3,4-dimethoxybenzamide
CID 1636749
3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 2102438
5-bromo-N'-[2-(3,4-dimethoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 4788528
3,4,5-triethoxy-N'-(3-thienylmethylene)benzohydrazide
CID 6873899
3,4,5-trimethoxy-N-[2-(2-thienyl)ethyl]benzamide
CID 27770210
3,5-dimethoxy-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]benzamide
CID 1829181
N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 2390489
3,4,5-trimethoxy-N'-[(2-methyl-3-thienyl)methylene]benzohydrazide
CID 5342152
N-({[(2E)-3-(3,4-Dimethoxyphenyl)prop-2-enamido]methanethioyl}amino)thiophene-2-carboxamide
CID 5763834

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide (CID 2161657) is 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide is COc1cc(C(=O)NNC(=O)Cc2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The InChIKey is CGZNHHTXXARYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-21-12-7-10(8-13(22-2)15(12)23-3)16(20)18-17-14(19)9-11-5-4-6-24-11/h4-8H,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide has a molecular weight of 350.40 g/mol, XLogP of 1.78, 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'-(2-thiophen-2-ylacetyl)benzohydrazide is sourced from PubChem (CID 2161657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).