2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C25H20F2N2O4S2 — CID 87418068

IUPAC2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1nc(-c2ccccc2)cs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H20F2N2O4S2/c1-25(33-22-13-10-18(26)14-20(22)27,17-8-11-19(12-9-17)35(2,31)32)23(30)29-24-28-21(15-34-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,28,29,30)
InChIKeyLOGGGMXRGAPMSI-UHFFFAOYSA-N
MW514.58 g/mol
LogP5.42
Rot. Bonds7

About 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 87418068) has the molecular formula C25H20F2N2O4S2 and a molecular weight of 514.58 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID87418068
Molecular FormulaC25H20F2N2O4S2
Molecular Weight514.58 g/mol
Exact Mass514.08
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(Oc1ccc(F)cc1F)(C(=O)Nc1nc(-c2ccccc2)cs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H20F2N2O4S2/c1-25(33-22-13-10-18(26)14-20(22)27,17-8-11-19(12-9-17)35(2,31)32)23(30)29-24-28-21(15-34-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,28,29,30)
InChIKeyLOGGGMXRGAPMSI-UHFFFAOYSA-N
XLogP5.42
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylsulfonylphenyl)-2-(4-phenylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 24960870
2-(2,4-difluorophenoxy)-2-(4-methylsulfinylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 145463971
4-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]benzoic acid
CID 87571173
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066659
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16799686
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 16802872
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9246541
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 78878975
2-chloro-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 9246487
3-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 63679014

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 87418068) is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is CC(Oc1ccc(F)cc1F)(C(=O)Nc1nc(-c2ccccc2)cs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is LOGGGMXRGAPMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O4S2/c1-25(33-22-13-10-18(26)14-20(22)27,17-8-11-19(12-9-17)35(2,31)32)23(30)29-24-28-21(15-34-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,28,29,30).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 514.58 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87418068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).