[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate

C15H13ClN2O4S — CID 8939932

IUPAC[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O4S/c1-9(22-15(21)11-7-8-12(16)23-11)13(19)17-18-14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyNSSJNOLAZMANMD-SECBINFHSA-N
MW352.80 g/mol
LogP2.41
Rot. Bonds4

About [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate (PubChem CID 8939932) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
PubChem CID8939932
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC Name[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C15H13ClN2O4S/c1-9(22-15(21)11-7-8-12(16)23-11)13(19)17-18-14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)(H,18,20)/t9-/m1/s1
InChIKeyNSSJNOLAZMANMD-SECBINFHSA-N
XLogP2.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.41
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

(1-oxo-1-phenylpropan-2-yl) 5-chlorothiophene-2-carboxylate
CID 55306617
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 8871772
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] propanoate
CID 8864955
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 9059282
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 8872704
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146722
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 8863407
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7284005
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 8864345
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8868567
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 8862579
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 9064395

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate (CID 8939932) is [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate is C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
The InChIKey is NSSJNOLAZMANMD-SECBINFHSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-9(22-15(21)11-7-8-12(16)23-11)13(19)17-18-14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)(H,18,20)/t9-/m1/s1.
What are the key properties of [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate has a molecular weight of 352.80 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 8939932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).