4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

C19H22N2O4S — CID 9440087

IUPAC4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1OC
InChIInChI=1S/C19H22N2O4S/c1-3-4-11-25-16-9-7-14(13-17(16)24-2)19(23)21-20-18(22)10-8-15-6-5-12-26-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyZYKTXAGFLQNYTP-CSKARUKUSA-N
MW374.46 g/mol
LogP3.41
Rot. Bonds8

About 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide

4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (PubChem CID 9440087) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
PubChem CID9440087
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1OC
InChIInChI=1S/C19H22N2O4S/c1-3-4-11-25-16-9-7-14(13-17(16)24-2)19(23)21-20-18(22)10-8-15-6-5-12-26-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyZYKTXAGFLQNYTP-CSKARUKUSA-N
XLogP3.41
TPSA76.66 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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9439958
3,4,5-trimethoxy-N'-(3-thiophen-2-ylprop-2-enoyl)benzohydrazide
CID 1416483
4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide
CID 9440084
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
4-butoxy-3-methoxy-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]benzohydrazide
CID 30933321
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N-[4-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-4-oxobutyl]thiophene-2-carboxamide
CID 55364470
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9331127
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The IUPAC name of 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide (CID 9440087) is 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is CCCCOc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
The InChIKey is ZYKTXAGFLQNYTP-CSKARUKUSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-4-11-25-16-9-7-14(13-17(16)24-2)19(23)21-20-18(22)10-8-15-6-5-12-26-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,22)(H,21,23)/b10-8+.
What are the key properties of 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide?
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide has a molecular weight of 374.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9440087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).