2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C20H18F2N2O4S2 — CID 59363832

IUPAC2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)(Oc2ccc(F)cc2F)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C20H18F2N2O4S2/c1-12-11-23-19(29-12)24-18(25)20(2,28-17-9-6-14(21)10-16(17)22)13-4-7-15(8-5-13)30(3,26)27/h4-11H,1-3H3,(H,23,24,25)
InChIKeyGCOWBPPNTGBRSW-UHFFFAOYSA-N
MW452.50 g/mol
LogP4.07
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 59363832) has the molecular formula C20H18F2N2O4S2 and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID59363832
Molecular FormulaC20H18F2N2O4S2
Molecular Weight452.50 g/mol
Exact Mass452.07
IUPAC Name2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)C(C)(Oc2ccc(F)cc2F)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C20H18F2N2O4S2/c1-12-11-23-19(29-12)24-18(25)20(2,28-17-9-6-14(21)10-16(17)22)13-4-7-15(8-5-13)30(3,26)27/h4-11H,1-3H3,(H,23,24,25)
InChIKeyGCOWBPPNTGBRSW-UHFFFAOYSA-N
XLogP4.07
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 59363832) is 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)C(C)(Oc2ccc(F)cc2F)c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GCOWBPPNTGBRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4S2/c1-12-11-23-19(29-12)24-18(25)20(2,28-17-9-6-14(21)10-16(17)22)13-4-7-15(8-5-13)30(3,26)27/h4-11H,1-3H3,(H,23,24,25).
What are the key properties of 2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 452.50 g/mol, XLogP of 4.07, 6 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-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59363832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).