[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate

C16H16Cl2N2O3S — CID 7962504

IUPAC[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCc1nc(NC(=O)COC(=O)CCCc2cccs2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-10-12(17)8-13(18)16(19-10)20-14(21)9-23-15(22)6-2-4-11-5-3-7-24-11/h3,5,7-8H,2,4,6,9H2,1H3,(H,19,20,21)
InChIKeyZIPAOXPTKITCKT-UHFFFAOYSA-N
MW387.29 g/mol
LogP4.26
Rot. Bonds7

About [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate (PubChem CID 7962504) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
PubChem CID7962504
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
SMILESCc1nc(NC(=O)COC(=O)CCCc2cccs2)c(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-10-12(17)8-13(18)16(19-10)20-14(21)9-23-15(22)6-2-4-11-5-3-7-24-11/h3,5,7-8H,2,4,6,9H2,1H3,(H,19,20,21)
InChIKeyZIPAOXPTKITCKT-UHFFFAOYSA-N
XLogP4.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate with MolForge

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Related Compounds

[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 3889598
[2-(4-bromoanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962756
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962789
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962575
[2-(2-methylsulfanylanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962866
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734423
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962482
[2-(2-ethoxyanilino)-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962812
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 8569297
[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

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The IUPAC name of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate (CID 7962504) is [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate.
What is the SMILES notation for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The canonical SMILES for [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate is Cc1nc(NC(=O)COC(=O)CCCc2cccs2)c(Cl)cc1Cl.
What is the InChIKey of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
The InChIKey is ZIPAOXPTKITCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-10-12(17)8-13(18)16(19-10)20-14(21)9-23-15(22)6-2-4-11-5-3-7-24-11/h3,5,7-8H,2,4,6,9H2,1H3,(H,19,20,21).
What are the key properties of [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate?
[2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate has a molecular weight of 387.29 g/mol, XLogP of 4.26, 7 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] 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 7962504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).