2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide

C26H28F2N4O5S2 — CID 87572242

IUPAC2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Nc1ncc(N2CCOCC2)s1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C26H28F2N4O5S2/c27-18-3-6-22(21(28)15-18)37-24(25(33)31-26-30-16-23(38-26)32-11-13-36-14-12-32)17-1-4-19(5-2-17)39(34,35)20-7-9-29-10-8-20/h1-6,15-16,20,24,29H,7-14H2,(H,30,31,33)
InChIKeyJDBCUPSZPFBZSM-UHFFFAOYSA-N
MW578.66 g/mol
LogP3.54
Rot. Bonds8

About 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide

2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide (PubChem CID 87572242) has the molecular formula C26H28F2N4O5S2 and a molecular weight of 578.66 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
PubChem CID87572242
Molecular FormulaC26H28F2N4O5S2
Molecular Weight578.66 g/mol
Exact Mass578.15
IUPAC Name2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
SMILESO=C(Nc1ncc(N2CCOCC2)s1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CCNCC2)cc1
InChIInChI=1S/C26H28F2N4O5S2/c27-18-3-6-22(21(28)15-18)37-24(25(33)31-26-30-16-23(38-26)32-11-13-36-14-12-32)17-1-4-19(5-2-17)39(34,35)20-7-9-29-10-8-20/h1-6,15-16,20,24,29H,7-14H2,(H,30,31,33)
InChIKeyJDBCUPSZPFBZSM-UHFFFAOYSA-N
XLogP3.54
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.66
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
CID 56847533
methyl 4-[[2-[[2-(2,4-difluorophenoxy)-2-[4-(oxan-4-ylsulfonyl)phenyl]acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoate
CID 56592787
2-(2,4-difluorophenoxy)-N-(1-methylpyrazol-3-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
CID 68778282
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 25262588
[5-chloro-2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl] acetate
CID 25261033
2-(3-chloro-4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
CID 25262437
N-(5-chloro-4-propyl-1,3-thiazol-2-yl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 143788266
2-(2,4-difluorophenoxy)-N-(5-fluoro-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 56592435
4-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]benzoic acid
CID 87571173
4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87083606
4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87075836
2-[2-[[2-(4-cyclohexylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87571465

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide (CID 87572242) is 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide is O=C(Nc1ncc(N2CCOCC2)s1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CCNCC2)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
The InChIKey is JDBCUPSZPFBZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O5S2/c27-18-3-6-22(21(28)15-18)37-24(25(33)31-26-30-16-23(38-26)32-11-13-36-14-12-32)17-1-4-19(5-2-17)39(34,35)20-7-9-29-10-8-20/h1-6,15-16,20,24,29H,7-14H2,(H,30,31,33).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide?
2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide has a molecular weight of 578.66 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 87572242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).