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

C15H16N2O4S — CID 2102438

IUPAC3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H16N2O4S/c1-20-11-6-10(7-12(8-11)21-2)15(19)17-16-14(18)9-13-4-3-5-22-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKMGHOHZBLCHVMC-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.77
Rot. Bonds5

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

3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide (PubChem CID 2102438) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
PubChem CID2102438
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H16N2O4S/c1-20-11-6-10(7-12(8-11)21-2)15(19)17-16-14(18)9-13-4-3-5-22-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyKMGHOHZBLCHVMC-UHFFFAOYSA-N
XLogP1.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N'-(2-thienylacetyl)benzohydrazide
CID 748727
N'-[2-(2-methoxyphenyl)acetyl]thiophene-2-carbohydrazide
CID 809222
N'-(cyclopentanecarbonyl)-3,5-dimethoxybenzohydrazide
CID 5134175
2-(3-methoxyphenoxy)-N-(2-thienylcarbonylamino)acetamide
CID 793924
N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]thiophene-2-carbohydrazide
CID 969141
3,5-dimethoxy-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]benzamide
CID 1829181
3,4,5-trimethoxy-N'-[(2-methyl-3-thienyl)methylene]benzohydrazide
CID 5342152
3,4,5-trimethoxy-N'-[(E)-(3-methylthiophen-2-yl)methylidene]benzohydrazide
CID 6893069
3,4,5-trimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 2161657
N'-[3-(2-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4790874
N'-[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
CID 4791402
N'-[3-(4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 4795171

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide (CID 2102438) is 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)Cc2cccs2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
The InChIKey is KMGHOHZBLCHVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-20-11-6-10(7-12(8-11)21-2)15(19)17-16-14(18)9-13-4-3-5-22-13/h3-8H,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide?
3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide has a molecular weight of 320.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-(2-thiophen-2-ylacetyl)benzohydrazide is sourced from PubChem (CID 2102438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).