3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide

C18H21N3O5S — CID 6370872

IUPAC3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N/N=C(/C)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O5S/c1-11(15-6-5-7-27-15)20-21-16(22)10-19-18(23)12-8-13(24-2)17(26-4)14(9-12)25-3/h5-9H,10H2,1-4H3,(H,19,23)(H,21,22)/b20-11-
InChIKeyFWKBERXCKPGCPI-JAIQZWGSSA-N
MW391.45 g/mol
LogP2.04
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide (PubChem CID 6370872) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide
PubChem CID6370872
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N/N=C(/C)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C18H21N3O5S/c1-11(15-6-5-7-27-15)20-21-16(22)10-19-18(23)12-8-13(24-2)17(26-4)14(9-12)25-3/h5-9H,10H2,1-4H3,(H,19,23)(H,21,22)/b20-11-
InChIKeyFWKBERXCKPGCPI-JAIQZWGSSA-N
XLogP2.04
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-((E)-1-Hydrazinocarbonyl-2-thiophen-2-yl-vinyl)-3,4-dimethoxy-benzamide
CID 1636749
3,4,5-triethoxy-N'-(3-thienylmethylene)benzohydrazide
CID 6873899
3,4,5-trimethoxy-N-[2-(2-thienyl)ethyl]benzamide
CID 27770210
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
(E)-3,4,5-trimethoxy-N-(2-oxo-2-(2-(1-phenylpropan-2-ylidene)hydrazinyl)ethyl)benzamide
CID 5907266
3,4,5-trimethoxy-N'-[(E)-(3-methylthiophen-2-yl)methylidene]benzohydrazide
CID 6893069
2-Methoxy-4-[(E)-({2-[(3-methoxyphenyl)formamido]acetamido}imino)methyl]phenyl thiophene-2-carboxylate
CID 9599732
4-{2-[(Benzoylamino)acetyl]carbohydrazonoyl}-2-methoxyphenyl 2-thiophenecarboxylate
CID 9599861
N-{3-methyl-1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]butan-2-yl}-1,3-benzodioxole-5-carboxamide (non-preferred name)
CID 9639790
3,4,5-triethoxy-N-({N'-[(1E)-(3-methylthiophen-2-yl)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 9664477
2-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]butanamide
CID 16017097

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide (CID 6370872) is 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide is COc1cc(C(=O)NCC(=O)N/N=C(/C)c2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide?
The InChIKey is FWKBERXCKPGCPI-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-11(15-6-5-7-27-15)20-21-16(22)10-19-18(23)12-8-13(24-2)17(26-4)14(9-12)25-3/h5-9H,10H2,1-4H3,(H,19,23)(H,21,22)/b20-11-.
What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-oxo-2-[(2Z)-2-(1-thiophen-2-ylethylidene)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 6370872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).