4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide

C19H22N2O4S — CID 4795334

IUPAC4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)12-25-15-7-5-14(6-8-15)19(24)21-20-18(23)10-9-16(22)17-4-3-11-26-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZOWJOCUNFYBVOB-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.21
Rot. Bonds8

About 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide

4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide (PubChem CID 4795334) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
PubChem CID4795334
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
SMILESCC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)12-25-15-7-5-14(6-8-15)19(24)21-20-18(23)10-9-16(22)17-4-3-11-26-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZOWJOCUNFYBVOB-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The IUPAC name of 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide (CID 4795334) is 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide.
What is the SMILES notation for 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The canonical SMILES for 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
The InChIKey is ZOWJOCUNFYBVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(2)12-25-15-7-5-14(6-8-15)19(24)21-20-18(23)10-9-16(22)17-4-3-11-26-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide?
4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide has a molecular weight of 374.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide is sourced from PubChem (CID 4795334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).