4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide

C19H24N2O4S2 — CID 30933321

IUPAC4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CSCc2cccs2)cc1OC
InChIInChI=1S/C19H24N2O4S2/c1-3-4-9-25-16-8-7-14(11-17(16)24-2)19(23)21-20-18(22)13-26-12-15-6-5-10-27-15/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLGJJPUBQJREZNJ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.63
Rot. Bonds10

About 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide

4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide (PubChem CID 30933321) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
PubChem CID30933321
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CSCc2cccs2)cc1OC
InChIInChI=1S/C19H24N2O4S2/c1-3-4-9-25-16-8-7-14(11-17(16)24-2)19(23)21-20-18(22)13-26-12-15-6-5-10-27-15/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLGJJPUBQJREZNJ-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984
3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide
CID 55364470
N'-(4-butoxy-3-methoxybenzoyl)-2,3-dihydro-1,4-dioxine-5-carbohydrazide
CID 24553459
N-(3-bromo-4-methoxyphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 4612401
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide?
The IUPAC name of 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide (CID 30933321) is 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide.
What is the SMILES notation for 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide?
The canonical SMILES for 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)CSCc2cccs2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide?
The InChIKey is LGJJPUBQJREZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-3-4-9-25-16-8-7-14(11-17(16)24-2)19(23)21-20-18(22)13-26-12-15-6-5-10-27-15/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide?
4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide has a molecular weight of 408.55 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide is sourced from PubChem (CID 30933321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).