[5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate

C24H20Cl2F2N2O6S2 — CID 25260877

About [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate

[5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate (PubChem CID 25260877) has the molecular formula C24H20Cl2F2N2O6S2 and a molecular weight of 605.47 g/mol. Its IUPAC name is [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate.

Molecular Properties

• Compound Name: [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate
• PubChem CID: 25260877
• Molecular Formula: C24H20Cl2F2N2O6S2
• Molecular Weight: 605.47 g/mol
• Exact Mass: 604.01
• IUPAC Name: [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate
• SMILES: CC(=O)Oc1nc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCCC3)c(Cl)c2)sc1Cl
• InChI: InChI=1S/C24H20Cl2F2N2O6S2/c1-12(31)35-23-21(26)37-24(30-23)29-22(32)20(36-18-8-7-14(27)11-17(18)28)13-6-9-19(16(25)10-13)38(33,34)15-4-2-3-5-15/h6-11,15,20H,2-5H2,1H3,(H,29,30,32)
• InChIKey: FAUOZQNIGSLOGA-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 111.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.47
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate?

The IUPAC name of [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate (CID 25260877) is [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate.

What is the SMILES notation for [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate?

The canonical SMILES for [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate is CC(=O)Oc1nc(NC(=O)C(Oc2ccc(F)cc2F)c2ccc(S(=O)(=O)C3CCCC3)c(Cl)c2)sc1Cl.

What is the InChIKey of [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate?

The InChIKey is FAUOZQNIGSLOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F2N2O6S2/c1-12(31)35-23-21(26)37-24(30-23)29-22(32)20(36-18-8-7-14(27)11-17(18)28)13-6-9-19(16(25)10-13)38(33,34)15-4-2-3-5-15/h6-11,15,20H,2-5H2,1H3,(H,29,30,32).

What are the key properties of [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate?

[5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate has a molecular weight of 605.47 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-2-[[2-(3-chloro-4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate is sourced from PubChem (CID 25260877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).