N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide

C26H36FNO5S — CID 138574785

IUPACN-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C26H36FNO5S/c1-15(2)21-12-19(27)13-22(16(3)4)23(21)14-24(29)28-34(32,33)20-10-17(25(5,6)30)9-18(11-20)26(7,8)31/h9-13,15-16,30-31H,14H2,1-8H3,(H,28,29)
InChIKeyMXDSLKQGHDHUQF-UHFFFAOYSA-N
MW493.64 g/mol
LogP4.57
Rot. Bonds8

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

N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 138574785) has the molecular formula C26H36FNO5S and a molecular weight of 493.64 g/mol. Its IUPAC name is N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID138574785
Molecular FormulaC26H36FNO5S
Molecular Weight493.64 g/mol
Exact Mass493.23
IUPAC NameN-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)(C)O)cc(C(C)(C)O)c1
InChIInChI=1S/C26H36FNO5S/c1-15(2)21-12-19(27)13-22(16(3)4)23(21)14-24(29)28-34(32,33)20-10-17(25(5,6)30)9-18(11-20)26(7,8)31/h9-13,15-16,30-31H,14H2,1-8H3,(H,28,29)
InChIKeyMXDSLKQGHDHUQF-UHFFFAOYSA-N
XLogP4.57
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.64
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide (CID 138574785) is N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)(=O)c1cc(C(C)(C)O)cc(C(C)(C)O)c1.
What is the InChIKey of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is MXDSLKQGHDHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FNO5S/c1-15(2)21-12-19(27)13-22(16(3)4)23(21)14-24(29)28-34(32,33)20-10-17(25(5,6)30)9-18(11-20)26(7,8)31/h9-13,15-16,30-31H,14H2,1-8H3,(H,28,29).
What are the key properties of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide?
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 493.64 g/mol, XLogP of 4.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 138574785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).