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

C19H17F2N3O3S2 — CID 59363839

IUPAC2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Nc1ccc(F)cc1F)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17F2N3O3S2/c1-19(17(25)23-18-22-9-10-28-18,24-16-8-5-13(20)11-15(16)21)12-3-6-14(7-4-12)29(2,26)27/h3-11,24H,1-2H3,(H,22,23,25)
InChIKeyOMZLBDOBPXRQPM-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.79
Rot. Bonds6

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

2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59363839) has the molecular formula C19H17F2N3O3S2 and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59363839
Molecular FormulaC19H17F2N3O3S2
Molecular Weight437.49 g/mol
Exact Mass437.07
IUPAC Name2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Nc1ccc(F)cc1F)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H17F2N3O3S2/c1-19(17(25)23-18-22-9-10-28-18,24-16-8-5-13(20)11-15(16)21)12-3-6-14(7-4-12)29(2,26)27/h3-11,24H,1-2H3,(H,22,23,25)
InChIKeyOMZLBDOBPXRQPM-UHFFFAOYSA-N
XLogP3.79
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfanyl-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 87417960
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
2-(2,4-difluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 110488848
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
CID 141213240
N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619
(E)-2-(4-methylsulfonylphenyl)-N,3-bis(1,3-thiazol-2-yl)prop-2-enamide
CID 10249892
N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487390
N-(4-fluoro-2-iodophenyl)-4-methylsulfonylbenzamide
CID 79758879
2-[(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)butanamide
CID 110502528

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 59363839) is 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is CC(Nc1ccc(F)cc1F)(C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OMZLBDOBPXRQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S2/c1-19(17(25)23-18-22-9-10-28-18,24-16-8-5-13(20)11-15(16)21)12-3-6-14(7-4-12)29(2,26)27/h3-11,24H,1-2H3,(H,22,23,25).
What are the key properties of 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide?
2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 437.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-2-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59363839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).