ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide

C23H35FN2O3S2 — CID 145387567

IUPACethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide
SMILESCC.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)c1ncc(C(C)(C)CO)s1
InChIInChI=1S/C21H29FN2O3S2.C2H6/c1-12(2)15-7-14(22)8-16(13(3)4)17(15)9-19(26)24-29(27)20-23-10-18(28-20)21(5,6)11-25;1-2/h7-8,10,12-13,25H,9,11H2,1-6H3,(H,24,26);1-2H3
InChIKeyQYJQNQYXPRXIEQ-UHFFFAOYSA-N
MW470.68 g/mol
LogP5.21
Rot. Bonds8

About ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide

ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide (PubChem CID 145387567) has the molecular formula C23H35FN2O3S2 and a molecular weight of 470.68 g/mol. Its IUPAC name is ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide.

Molecular Properties

Compound Nameethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide
PubChem CID145387567
Molecular FormulaC23H35FN2O3S2
Molecular Weight470.68 g/mol
Exact Mass470.21
IUPAC Nameethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide
SMILESCC.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)c1ncc(C(C)(C)CO)s1
InChIInChI=1S/C21H29FN2O3S2.C2H6/c1-12(2)15-7-14(22)8-16(13(3)4)17(15)9-19(26)24-29(27)20-23-10-18(28-20)21(5,6)11-25;1-2/h7-8,10,12-13,25H,9,11H2,1-6H3,(H,24,26);1-2H3
InChIKeyQYJQNQYXPRXIEQ-UHFFFAOYSA-N
XLogP5.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.68
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
CID 159092232
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide
CID 153389582
N-[(E)-1-amino-4-hydroxy-4-methyl-3-methyliminopent-1-enyl]sulfinyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 153389606
N-[4-[[(Z)-3-aminoprop-2-enylidene]amino]phenyl]sulfinyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 153389667
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)-5-methylthiophen-2-yl]sulfanylacetamide
CID 167253887
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 138574785
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)phenyl]sulfanylacetamide
CID 145387580
2-[4-chloro-3,5-difluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 167253902
2-(2-cyclopropyl-4-fluoro-6-propan-2-ylphenyl)acetamide;3-fluoro-5-(2-hydroxypropan-2-yl)thiophene-2-sulfinamide
CID 142522465
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 155464161
N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 165169361
N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
CID 155429408

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide?
The IUPAC name of ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide (CID 145387567) is ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide.
What is the SMILES notation for ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide?
The canonical SMILES for ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide is CC.CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)c1ncc(C(C)(C)CO)s1.
What is the InChIKey of ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide?
The InChIKey is QYJQNQYXPRXIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O3S2.C2H6/c1-12(2)15-7-14(22)8-16(13(3)4)17(15)9-19(26)24-29(27)20-23-10-18(28-20)21(5,6)11-25;1-2/h7-8,10,12-13,25H,9,11H2,1-6H3,(H,24,26);1-2H3.
What are the key properties of ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide?
ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide has a molecular weight of 470.68 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide is sourced from PubChem (CID 145387567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).