2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide

C20H18F6N2O4S — CID 122622379

IUPAC2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1
InChIInChI=1S/C20H18F6N2O4S/c21-19(22,23)18(30,20(24,25)26)16-8-5-14(10-27-16)28-17(29)9-12-3-6-15(7-4-12)33(31,32)11-13-1-2-13/h3-8,10,13,30H,1-2,9,11H2,(H,28,29)
InChIKeyWWRKLBKHZWGRMP-UHFFFAOYSA-N
MW496.43 g/mol
LogP3.76
Rot. Bonds7

About 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide

2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide (PubChem CID 122622379) has the molecular formula C20H18F6N2O4S and a molecular weight of 496.43 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
PubChem CID122622379
Molecular FormulaC20H18F6N2O4S
Molecular Weight496.43 g/mol
Exact Mass496.09
IUPAC Name2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1
InChIInChI=1S/C20H18F6N2O4S/c21-19(22,23)18(30,20(24,25)26)16-8-5-14(10-27-16)28-17(29)9-12-3-6-15(7-4-12)33(31,32)11-13-1-2-13/h3-8,10,13,30H,1-2,9,11H2,(H,28,29)
InChIKeyWWRKLBKHZWGRMP-UHFFFAOYSA-N
XLogP3.76
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide
CID 122622440
2-[5-(cyclopropylmethylsulfonyl)pyrimidin-2-yl]-N-[4-(1,2,2,2-tetrafluoro-1-hydroxyethyl)phenyl]acetamide
CID 137473807
N-[3-chloro-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-2-[4-(cyclopropylmethylsulfonyl)phenyl]acetamide
CID 122627317
2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide
CID 122622762
2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 162136993
2-[6-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 160584888
2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
CID 118144406
2-[5-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 157457567
2-cyclopropyl-4-[[2-[4-(cyclopropylmethylsulfonyl)phenyl]acetyl]amino]-N-pyridin-3-ylbenzamide
CID 175387640
2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(2,2,2-trifluoro-1-hydroxy-1-phenylethyl)phenyl]acetamide
CID 159911965
2-[5-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)-2-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)phenyl]acetamide;2-[5-(cyclopropylmethyl-methylidene-oxo-λ6-sulfanyl)pyrimidin-2-yl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 159440274
N-[4-[2-(cyclobutylmethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide (CID 122622379) is 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide is O=C(Cc1ccc(S(=O)(=O)CC2CC2)cc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1.
What is the InChIKey of 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?
The InChIKey is WWRKLBKHZWGRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O4S/c21-19(22,23)18(30,20(24,25)26)16-8-5-14(10-27-16)28-17(29)9-12-3-6-15(7-4-12)33(31,32)11-13-1-2-13/h3-8,10,13,30H,1-2,9,11H2,(H,28,29).
What are the key properties of 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide?
2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide has a molecular weight of 496.43 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylsulfonyl)phenyl]-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 122622379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).