[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

C18H19Cl2N3O6S — CID 3319367

About [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (PubChem CID 3319367) has the molecular formula C18H19Cl2N3O6S and a molecular weight of 476.34 g/mol. Its IUPAC name is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

• Compound Name: [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
• PubChem CID: 3319367
• Molecular Formula: C18H19Cl2N3O6S
• Molecular Weight: 476.34 g/mol
• Exact Mass: 475.04
• IUPAC Name: [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
• SMILES: CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C18H19Cl2N3O6S/c1-2-28-13-3-5-14(6-4-13)30(26,27)22-8-7-17(25)29-11-16(24)23-18-15(20)9-12(19)10-21-18/h3-6,9-10,22H,2,7-8,11H2,1H3,(H,21,23,24)
• InChIKey: IUBWJBPCXXNYAE-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 123.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.34
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?

The IUPAC name of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate (CID 3319367) is [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate.

What is the SMILES notation for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?

The canonical SMILES for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is CCOc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1.

What is the InChIKey of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?

The InChIKey is IUBWJBPCXXNYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O6S/c1-2-28-13-3-5-14(6-4-13)30(26,27)22-8-7-17(25)29-11-16(24)23-18-15(20)9-12(19)10-21-18/h3-6,9-10,22H,2,7-8,11H2,1H3,(H,21,23,24).

What are the key properties of [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate?

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate has a molecular weight of 476.34 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 3319367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).