[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate

C14H12Cl2N2O3S — CID 3889598

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1nc(NC(=O)COC(=O)Cc2ccsc2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c1-8-10(15)5-11(16)14(17-8)18-12(19)6-21-13(20)4-9-2-3-22-7-9/h2-3,5,7H,4,6H2,1H3,(H,17,18,19)
InChIKeyDPUWSNMZNIXKMN-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.48
Rot. Bonds5

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 3889598) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID3889598
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESCc1nc(NC(=O)COC(=O)Cc2ccsc2)c(Cl)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3S/c1-8-10(15)5-11(16)14(17-8)18-12(19)6-21-13(20)4-9-2-3-22-7-9/h2-3,5,7H,4,6H2,1H3,(H,17,18,19)
InChIKeyDPUWSNMZNIXKMN-UHFFFAOYSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate with MolForge

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Related Compounds

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773126
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962504
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 3952477
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 3944750
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-hydroxybenzoate
CID 7789788
[2-(2,6-diethylanilino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2338102
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 4668327
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 7969091
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734423
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003529
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386703
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 16540717

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 3889598) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate is Cc1nc(NC(=O)COC(=O)Cc2ccsc2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is DPUWSNMZNIXKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-8-10(15)5-11(16)14(17-8)18-12(19)6-21-13(20)4-9-2-3-22-7-9/h2-3,5,7H,4,6H2,1H3,(H,17,18,19).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 359.23 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 3889598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).