2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide

C22H18F2N2O4S — CID 25262589

IUPAC2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H18F2N2O4S/c23-15-6-11-19(18(24)13-15)30-21(22(27)26-20-3-1-2-12-25-20)14-4-7-16(8-5-14)31(28,29)17-9-10-17/h1-8,11-13,17,21H,9-10H2,(H,25,26,27)
InChIKeyGHVBYEZMHNPLOY-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.05
Rot. Bonds7

About 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide

2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide (PubChem CID 25262589) has the molecular formula C22H18F2N2O4S and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide
PubChem CID25262589
Molecular FormulaC22H18F2N2O4S
Molecular Weight444.46 g/mol
Exact Mass444.10
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide
SMILESO=C(Nc1ccccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C22H18F2N2O4S/c23-15-6-11-19(18(24)13-15)30-21(22(27)26-20-3-1-2-12-25-20)14-4-7-16(8-5-14)31(28,29)17-9-10-17/h1-8,11-13,17,21H,9-10H2,(H,25,26,27)
InChIKeyGHVBYEZMHNPLOY-UHFFFAOYSA-N
XLogP4.05
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[2-(4-Chlorophenoxy)-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 68182540
6-[[2-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]pyridine-3-carboxylic acid
CID 68777540
Tert-butyl 6-[[2-(2,4-difluorophenoxy)-2-(4-morpholin-4-ylsulfonylphenyl)acetyl]amino]pyridine-3-carboxylate
CID 68191134
3-(4-Fluorophenyl)-4-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]sulfonylbutanoic acid
CID 11420360
2-(4-fluorophenoxy)-2-(4-fluorophenyl)-N-pyridin-2-ylacetamide
CID 17856997
3-(4-Fluorophenyl)-4-[3-[3-(pyridin-2-ylamino)butoxy]phenyl]sulfonylbutanoic acid
CID 22602716
2-(2,4-difluorophenoxy)-2-(4-methylsulfonylphenyl)-N-pyrimidin-2-ylpropanamide
CID 24961241
2-(4-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyrazin-2-ylacetamide
CID 25262438
N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 25262587
Methyl 6-[[2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]pyridine-3-carboxylate
CID 25262742
2-(4-chloro-2-fluorophenoxy)-N-(5-chloro-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)acetamide
CID 25262906
6-[[2-(2,4-Difluorophenoxy)-2-(4-methylsulfonylphenyl)propanoyl]amino]pyridine-3-carboxylic acid
CID 59363818

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide (CID 25262589) is 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide is O=C(Nc1ccccn1)C(Oc1ccc(F)cc1F)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide?
The InChIKey is GHVBYEZMHNPLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O4S/c23-15-6-11-19(18(24)13-15)30-21(22(27)26-20-3-1-2-12-25-20)14-4-7-16(8-5-14)31(28,29)17-9-10-17/h1-8,11-13,17,21H,9-10H2,(H,25,26,27).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide?
2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide has a molecular weight of 444.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 25262589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).