[1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea

C15H15ClN4O3S — CID 4847733

IUPAC[1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O3S/c16-10-5-3-9(4-6-10)11(18-15(17)23)8-13(21)19-20-14(22)12-2-1-7-24-12/h1-7,11H,8H2,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyAYQKWFMHLMOYEU-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.96
Rot. Bonds5

About [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea

[1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea (PubChem CID 4847733) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea
PubChem CID4847733
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC Name[1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O3S/c16-10-5-3-9(4-6-10)11(18-15(17)23)8-13(21)19-20-14(22)12-2-1-7-24-12/h1-7,11H,8H2,(H,19,21)(H,20,22)(H3,17,18,23)
InChIKeyAYQKWFMHLMOYEU-UHFFFAOYSA-N
XLogP1.96
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.96
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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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea?
The IUPAC name of [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea (CID 4847733) is [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea.
What is the SMILES notation for [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea?
The canonical SMILES for [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea is NC(=O)NC(CC(=O)NNC(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea?
The InChIKey is AYQKWFMHLMOYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c16-10-5-3-9(4-6-10)11(18-15(17)23)8-13(21)19-20-14(22)12-2-1-7-24-12/h1-7,11H,8H2,(H,19,21)(H,20,22)(H3,17,18,23).
What are the key properties of [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea?
[1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea has a molecular weight of 366.83 g/mol, XLogP of 1.96, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-oxo-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]urea is sourced from PubChem (CID 4847733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).