[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate

C17H19ClN2O3S — CID 7651248

IUPAC[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1CC
InChIInChI=1S/C17H19ClN2O3S/c1-3-6-13-11(4-2)9-14(24-13)17(22)23-10-15(21)20-12-7-5-8-19-16(12)18/h5,7-9H,3-4,6,10H2,1-2H3,(H,20,21)
InChIKeyXKAIPRYJCSSSQR-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.11
Rot. Bonds7

About [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate

[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 7651248) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID7651248
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1CC
InChIInChI=1S/C17H19ClN2O3S/c1-3-6-13-11(4-2)9-14(24-13)17(22)23-10-15(21)20-12-7-5-8-19-16(12)18/h5,7-9H,3-4,6,10H2,1-2H3,(H,20,21)
InChIKeyXKAIPRYJCSSSQR-UHFFFAOYSA-N
XLogP4.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651356
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651341
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2629282
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651396
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-butoxybenzoate
CID 2585299
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8856113
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512853
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512864
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510840
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-hydroxybenzoate
CID 3362952
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651339
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 41232959

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate (CID 7651248) is [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1CC.
What is the InChIKey of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is XKAIPRYJCSSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-6-13-11(4-2)9-14(24-13)17(22)23-10-15(21)20-12-7-5-8-19-16(12)18/h5,7-9H,3-4,6,10H2,1-2H3,(H,20,21).
What are the key properties of [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 366.87 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 7651248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).