2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide

C21H19F2N3O4S — CID 67486057

IUPAC2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCc1ccnc(NC(=O)C(C)(Oc2ccc(F)cc2F)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C21H19F2N3O4S/c1-13-10-11-24-20(25-13)26-19(27)21(2,30-18-9-6-15(22)12-17(18)23)14-4-7-16(8-5-14)31(3,28)29/h4-12H,1-3H3,(H,24,25,26,27)
InChIKeyUETWKIDOBQOBFT-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.40
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide

2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 67486057) has the molecular formula C21H19F2N3O4S and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide
PubChem CID67486057
Molecular FormulaC21H19F2N3O4S
Molecular Weight447.46 g/mol
Exact Mass447.11
IUPAC Name2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide
SMILESCc1ccnc(NC(=O)C(C)(Oc2ccc(F)cc2F)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C21H19F2N3O4S/c1-13-10-11-24-20(25-13)26-19(27)21(2,30-18-9-6-15(22)12-17(18)23)14-4-7-16(8-5-14)31(3,28)29/h4-12H,1-3H3,(H,24,25,26,27)
InChIKeyUETWKIDOBQOBFT-UHFFFAOYSA-N
XLogP3.40
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[3-pyrimidin-5-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71283954
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide
CID 24961241
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide
CID 25262589
6-[[2-(2,4-Difluorophenoxy)-2-(4-methylsulfonylphenyl)propanoyl]amino]pyridine-3-carboxylic acid
CID 59363818
Tert-butyl 2-[[6-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-3-pyridinyl]oxy]-2-methylpropanoate
CID 68191132
2-(4-ethylsulfonylphenyl)-N-[2-(2-methylpyrimidin-4-yl)-3-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71286035
2-(4-ethylsulfonylphenyl)-N-[3-pyrimidin-5-yloxy-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71289907
2-(4-ethylsulfonylphenyl)-N-[3-(2-methylpyrimidin-5-yl)-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71289944
2-(4-ethylsulfonylphenyl)-N-[3-(2-methylpyrimidin-4-yl)-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71290000
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-pyrimidin-5-ylphenyl]acetamide
CID 72548550
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
CID 141213240
N-(4-ethoxyphenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 59588271

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide (CID 67486057) is 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide is Cc1ccnc(NC(=O)C(C)(Oc2ccc(F)cc2F)c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is UETWKIDOBQOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O4S/c1-13-10-11-24-20(25-13)26-19(27)21(2,30-18-9-6-15(22)12-17(18)23)14-4-7-16(8-5-14)31(3,28)29/h4-12H,1-3H3,(H,24,25,26,27).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide?
2-(2,4-difluorophenoxy)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 447.46 g/mol, XLogP of 3.40, 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)-N-(4-methylpyrimidin-2-yl)-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 67486057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).