5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide

C20H20N2O4S — CID 9219783

IUPAC5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
SMILESO=C(CCCc1cccs1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H20N2O4S/c23-19(10-4-8-17-9-5-13-27-17)21-22-20(24)18-12-11-16(26-18)14-25-15-6-2-1-3-7-15/h1-3,5-7,9,11-13H,4,8,10,14H2,(H,21,23)(H,22,24)
InChIKeyIMUATKSCKRYDLA-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.70
Rot. Bonds8

About 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide

5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide (PubChem CID 9219783) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
PubChem CID9219783
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide
SMILESO=C(CCCc1cccs1)NNC(=O)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C20H20N2O4S/c23-19(10-4-8-17-9-5-13-27-17)21-22-20(24)18-12-11-16(26-18)14-25-15-6-2-1-3-7-15/h1-3,5-7,9,11-13H,4,8,10,14H2,(H,21,23)(H,22,24)
InChIKeyIMUATKSCKRYDLA-UHFFFAOYSA-N
XLogP3.70
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.70
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

N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
N'-[3-(2-chlorophenyl)propanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31464668
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-[2-(4-ethylphenoxy)acetyl]-4-thiophen-2-ylbutanehydrazide
CID 9472040
N'-[5-(1,3-benzothiazol-2-yl)pentanoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837485
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N'-[2-(4-ethoxyphenoxy)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219862
5-(phenoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 33465538
N'-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 24627442
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 17391517
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide?
The IUPAC name of 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide (CID 9219783) is 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide is O=C(CCCc1cccs1)NNC(=O)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide?
The InChIKey is IMUATKSCKRYDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-19(10-4-8-17-9-5-13-27-17)21-22-20(24)18-12-11-16(26-18)14-25-15-6-2-1-3-7-15/h1-3,5-7,9,11-13H,4,8,10,14H2,(H,21,23)(H,22,24).
What are the key properties of 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide?
5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide has a molecular weight of 384.46 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-N'-(4-thiophen-2-ylbutanoyl)furan-2-carbohydrazide is sourced from PubChem (CID 9219783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).