[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate

C17H17ClN2O4S — CID 7801038

IUPAC[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
SMILESCCc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C17H17ClN2O4S/c1-3-11-8-14(25-10(11)2)17(23)24-9-15(21)19-20-16(22)12-4-6-13(18)7-5-12/h4-8H,3,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVKMSQQKVCFWCGG-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.89
Rot. Bonds5

About [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate

[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate (PubChem CID 7801038) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
PubChem CID7801038
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
SMILESCCc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C17H17ClN2O4S/c1-3-11-8-14(25-10(11)2)17(23)24-9-15(21)19-20-16(22)12-4-6-13(18)7-5-12/h4-8H,3,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVKMSQQKVCFWCGG-UHFFFAOYSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.89
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

N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26657465
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847473
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847451
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26854197
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylpropanoate
CID 7782405
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771372
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510885
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetamidobenzoate
CID 7949789
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
N'-[2-(2-chlorophenoxy)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 7601142
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7801118
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972763

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
The IUPAC name of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate (CID 7801038) is [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate is CCc1cc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)sc1C.
What is the InChIKey of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
The InChIKey is VKMSQQKVCFWCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-3-11-8-14(25-10(11)2)17(23)24-9-15(21)19-20-16(22)12-4-6-13(18)7-5-12/h4-8H,3,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate?
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate has a molecular weight of 380.85 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7801038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).