[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea

C15H16N4O3S — CID 134011246

IUPAC[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C15H16N4O3S/c16-15(22)17-11(12-7-4-8-23-12)9-13(20)18-19-14(21)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyGWFQTPAGZYQAAC-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.31
Rot. Bonds5

About [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea

[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea (PubChem CID 134011246) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
PubChem CID134011246
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C15H16N4O3S/c16-15(22)17-11(12-7-4-8-23-12)9-13(20)18-19-14(21)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyGWFQTPAGZYQAAC-UHFFFAOYSA-N
XLogP1.31
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.31
H-Bond Donors ≤ 54
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-(4-anilinophenyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
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[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
CID 42931435
3-(carbamoylamino)-N-(2-methyl-1-phenylpropyl)-3-thiophen-2-ylpropanamide
CID 134024602
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
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(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
(2S)-2-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]hexanoic acid
CID 120615623
(3R)-3-(carbamoylamino)-N-(1-phenylcyclobutyl)-3-thiophen-2-ylpropanamide
CID 94809089
(3R)-3-(carbamoylamino)-N-[(1R)-1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 26081925
3-(carbamoylamino)-N-[1-(2-methylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 42931334
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-2,2-dimethylbutanoic acid
CID 122126169
4-[[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]amino]-4-methylpentanoic acid
CID 119357780

Frequently Asked Questions

What is the IUPAC name of [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea?
The IUPAC name of [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea (CID 134011246) is [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea is NC(=O)NC(CC(=O)NNC(=O)c1ccccc1)c1cccs1.
What is the InChIKey of [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea?
The InChIKey is GWFQTPAGZYQAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c16-15(22)17-11(12-7-4-8-23-12)9-13(20)18-19-14(21)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,18,20)(H,19,21)(H3,16,17,22).
What are the key properties of [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea?
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea has a molecular weight of 332.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 134011246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).