2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide

C22H31FN2O3S2 — CID 159092232

IUPAC2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
SMILESCCC(C)(C)c1cnc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)s1
InChIInChI=1S/C22H31FN2O3S2/c1-8-22(6,7)19-12-24-21(29-19)30(27,28)25-20(26)11-18-16(13(2)3)9-15(23)10-17(18)14(4)5/h9-10,12-14H,8,11H2,1-7H3,(H,25,26)
InChIKeyUQVWSWCXMLVWSS-UHFFFAOYSA-N
MW454.63 g/mol
LogP5.26
Rot. Bonds8

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide (PubChem CID 159092232) has the molecular formula C22H31FN2O3S2 and a molecular weight of 454.63 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
PubChem CID159092232
Molecular FormulaC22H31FN2O3S2
Molecular Weight454.63 g/mol
Exact Mass454.18
IUPAC Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
SMILESCCC(C)(C)c1cnc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)s1
InChIInChI=1S/C22H31FN2O3S2/c1-8-22(6,7)19-12-24-21(29-19)30(27,28)25-20(26)11-18-16(13(2)3)9-15(23)10-17(18)14(4)5/h9-10,12-14H,8,11H2,1-7H3,(H,25,26)
InChIKeyUQVWSWCXMLVWSS-UHFFFAOYSA-N
XLogP5.26
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.63
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 138574785
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
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[[4-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
CID 155761087
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 155464161
2-[4-cyano-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-[4-cyano-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide;1-[2,6-di(propan-2-yl)-4-(trifluoromethyl)phenyl]-3-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]sulfonyl]propan-2-one;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[5-(2-hydroxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylacetamide;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methoxypropan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide;2-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-[[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide
CID 167669033
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
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[(5-propan-2-yl-2-pyridinyl)sulfonyl]acetamide
CID 155464127
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-yl]sulfonylacetamide
CID 155463998
N-(4,5-dimethylthiophen-2-yl)sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155463985
N-[amino-[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-oxo-λ6-sulfanylidene]-2-[4-(difluoromethoxy)-2,6-di(propan-2-yl)phenyl]acetamide
CID 159393020
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
N-[1-[1-(dimethylamino)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 159394731

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide?
The IUPAC name of 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) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide?
The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide is CCC(C)(C)c1cnc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)C)s1.
What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide?
The InChIKey is UQVWSWCXMLVWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O3S2/c1-8-22(6,7)19-12-24-21(29-19)30(27,28)25-20(26)11-18-16(13(2)3)9-15(23)10-17(18)14(4)5/h9-10,12-14H,8,11H2,1-7H3,(H,25,26).
What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide?
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide has a molecular weight of 454.63 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]sulfonyl]acetamide is sourced from PubChem (CID 159092232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).