N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide

C13H18N2O3S — CID 47189286

IUPACN'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide
SMILESO=C(CCCc1cccs1)NNC(=O)C1CCCO1
InChIInChI=1S/C13H18N2O3S/c16-12(7-1-4-10-5-3-9-19-10)14-15-13(17)11-6-2-8-18-11/h3,5,9,11H,1-2,4,6-8H2,(H,14,16)(H,15,17)
InChIKeyBHKHGIIJBGHPJG-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.40
Rot. Bonds5

About N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide

N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide (PubChem CID 47189286) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide
PubChem CID47189286
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide
SMILESO=C(CCCc1cccs1)NNC(=O)C1CCCO1
InChIInChI=1S/C13H18N2O3S/c16-12(7-1-4-10-5-3-9-19-10)14-15-13(17)11-6-2-8-18-11/h3,5,9,11H,1-2,4,6-8H2,(H,14,16)(H,15,17)
InChIKeyBHKHGIIJBGHPJG-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
N'-[3-(4-propan-2-ylphenyl)propanoyl]oxolane-2-carbohydrazide
CID 60556236
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
3,5-dimethoxy-N'-(4-thiophen-2-ylbutanoyl)benzohydrazide
CID 17391517
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588
N'-[2-(2-methylphenyl)acetyl]oxolane-2-carbohydrazide
CID 47189407
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020

Frequently Asked Questions

What is the IUPAC name of N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide?
The IUPAC name of N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide (CID 47189286) is N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide.
What is the SMILES notation for N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide?
The canonical SMILES for N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide is O=C(CCCc1cccs1)NNC(=O)C1CCCO1.
What is the InChIKey of N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide?
The InChIKey is BHKHGIIJBGHPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-12(7-1-4-10-5-3-9-19-10)14-15-13(17)11-6-2-8-18-11/h3,5,9,11H,1-2,4,6-8H2,(H,14,16)(H,15,17).
What are the key properties of N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide?
N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide has a molecular weight of 282.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 47189286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).