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

C15H22N4O3S — CID 42931435

IUPAC[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C15H22N4O3S/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/h4,7-8,10-11H,1-3,5-6,9H2,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyIIZZGSLJDKIWLZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.58
Rot. Bonds5

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

[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea (PubChem CID 42931435) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
PubChem CID42931435
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C15H22N4O3S/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/h4,7-8,10-11H,1-3,5-6,9H2,(H,18,20)(H,19,21)(H3,16,17,22)
InChIKeyIIZZGSLJDKIWLZ-UHFFFAOYSA-N
XLogP1.58
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.58
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

(3R)-3-(carbamoylamino)-N-[(1R,2R)-2-methylcyclohexyl]-3-thiophen-2-ylpropanamide
CID 26026931
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
3-(carbamoylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]-3-thiophen-2-ylpropanamide
CID 134057065
3-(carbamoylamino)-N-(4-cyclopentyloxyphenyl)-3-thiophen-2-ylpropanamide
CID 55577985
3-(carbamoylamino)-N-(3-methylbutan-2-yl)-3-thiophen-2-ylpropanamide
CID 47137941
(3S)-3-(carbamoylamino)-N-[(2S)-3-methylbutan-2-yl]-3-thiophen-2-ylpropanamide
CID 94193166
3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide
CID 120578515
3-amino-N-[[1-[3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578514
(2R)-1-[(3S)-3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 125118766
N-(3-aminopropyl)-3-(carbamoylamino)-3-thiophen-2-ylpropanamide
CID 119407113
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644

Frequently Asked Questions

What is the IUPAC name of [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea?
The IUPAC name of [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea (CID 42931435) is [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea is NC(=O)NC(CC(=O)NNC(=O)C1CCCCC1)c1cccs1.
What is the InChIKey of [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea?
The InChIKey is IIZZGSLJDKIWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/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/h4,7-8,10-11H,1-3,5-6,9H2,(H,18,20)(H,19,21)(H3,16,17,22).
What are the key properties of [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea?
[3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea has a molecular weight of 338.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(cyclohexanecarbonyl)hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 42931435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).