[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

C20H16F2N2O5S2 — CID 16518185

IUPAC[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C20H16F2N2O5S2/c1-11-3-5-13(31(2,27)28)8-14(11)19(26)29-9-18(25)24-20-23-17(10-30-20)15-7-12(21)4-6-16(15)22/h3-8,10H,9H2,1-2H3,(H,23,24,25)
InChIKeyFQPISEDEHGLKBX-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.60
Rot. Bonds6

About [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate (PubChem CID 16518185) has the molecular formula C20H16F2N2O5S2 and a molecular weight of 466.49 g/mol. Its IUPAC name is [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
PubChem CID16518185
Molecular FormulaC20H16F2N2O5S2
Molecular Weight466.49 g/mol
Exact Mass466.05
IUPAC Name[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C20H16F2N2O5S2/c1-11-3-5-13(31(2,27)28)8-14(11)19(26)29-9-18(25)24-20-23-17(10-30-20)15-7-12(21)4-6-16(15)22/h3-8,10H,9H2,1-2H3,(H,23,24,25)
InChIKeyFQPISEDEHGLKBX-UHFFFAOYSA-N
XLogP3.60
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate with MolForge

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Related Compounds

[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 23768958
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 8839185
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2093950
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849964
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 27751657
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 9492640
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-2-fluoro-5-methylsulfonylbenzamide
CID 75526136
[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 16617646
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849835

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate?
The IUPAC name of [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate (CID 16518185) is [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate.
What is the SMILES notation for [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate?
The canonical SMILES for [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate is Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate?
The InChIKey is FQPISEDEHGLKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O5S2/c1-11-3-5-13(31(2,27)28)8-14(11)19(26)29-9-18(25)24-20-23-17(10-30-20)15-7-12(21)4-6-16(15)22/h3-8,10H,9H2,1-2H3,(H,23,24,25).
What are the key properties of [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate?
[2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate has a molecular weight of 466.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate is sourced from PubChem (CID 16518185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).