2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide

C26H29FN2O4S — CID 155464161

IUPAC2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
SMILESCc1cc(C(C)(C)O)ccc1S(=O)(=O)NC(=O)Cc1c(-c2cccnc2)cc(F)cc1C(C)C
InChIInChI=1S/C26H29FN2O4S/c1-16(2)21-12-20(27)13-22(18-7-6-10-28-15-18)23(21)14-25(30)29-34(32,33)24-9-8-19(11-17(24)3)26(4,5)31/h6-13,15-16,31H,14H2,1-5H3,(H,29,30)
InChIKeyDWKZVOIFVZCXEF-UHFFFAOYSA-N
MW484.59 g/mol
LogP4.59
Rot. Bonds7

About 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide

2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide (PubChem CID 155464161) has the molecular formula C26H29FN2O4S and a molecular weight of 484.59 g/mol. Its IUPAC name is 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
PubChem CID155464161
Molecular FormulaC26H29FN2O4S
Molecular Weight484.59 g/mol
Exact Mass484.18
IUPAC Name2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
SMILESCc1cc(C(C)(C)O)ccc1S(=O)(=O)NC(=O)Cc1c(-c2cccnc2)cc(F)cc1C(C)C
InChIInChI=1S/C26H29FN2O4S/c1-16(2)21-12-20(27)13-22(18-7-6-10-28-15-18)23(21)14-25(30)29-34(32,33)24-9-8-19(11-17(24)3)26(4,5)31/h6-13,15-16,31H,14H2,1-5H3,(H,29,30)
InChIKeyDWKZVOIFVZCXEF-UHFFFAOYSA-N
XLogP4.59
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-{3-Pyridin-3-ylmethyl-5-[2-(toluene-4-sulfonylamino)-ethyl]-phenyl}-propionic acid
CID 10670672
3-{3-[2-(4-Fluoro-benzenesulfonylamino)-ethyl]-5-pyridin-3-ylmethyl-phenyl}-propionic acid
CID 10789321
4-[(7-Carboxy-2-pyridin-3-ylheptyl)sulfamoyl]benzoic acid;hydrochloride
CID 45262200
3-[3-[2-(Benzenesulfonamido)ethyl]-5-(1-pyridin-3-ylethyl)phenyl]propanoic acid
CID 19711364
4-(7-Carboxy-2-pyridin-3-yl-heptylsulfamoyl)-benzoic acid; hydrochloride
CID 10432271
8-[(4-Fluorophenyl)sulfonylamino]-4-(3-pyridin-3-ylphenyl)octanoic acid
CID 14986701
6-[4-[2-[(4-Fluorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhexanoic acid
CID 15713284
7-(4-(2-(4-Fluorobenzenesulphonylamino)ethyl)phenyl)-7-(3-pyridyl)heptanoic acid
CID 15713288
3-[4-[[4-Pyridin-3-yl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonylbenzoic acid
CID 24955650
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[4-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]sulfonylamino]cyclohexane-1-carboxamide
CID 68319621
5-[[6-(4-Fluorophenyl)-3-pyridinyl]sulfamoyl]-2-methylbenzoic acid
CID 71170490
2-Fluoro-4-[(2-methyl-4-pyridin-2-ylphenyl)sulfonylamino]benzoic acid
CID 122498552

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide?
The IUPAC name of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide (CID 155464161) is 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide.
What is the SMILES notation for 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide?
The canonical SMILES for 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide is Cc1cc(C(C)(C)O)ccc1S(=O)(=O)NC(=O)Cc1c(-c2cccnc2)cc(F)cc1C(C)C.
What is the InChIKey of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide?
The InChIKey is DWKZVOIFVZCXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4S/c1-16(2)21-12-20(27)13-22(18-7-6-10-28-15-18)23(21)14-25(30)29-34(32,33)24-9-8-19(11-17(24)3)26(4,5)31/h6-13,15-16,31H,14H2,1-5H3,(H,29,30).
What are the key properties of 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide?
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide has a molecular weight of 484.59 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide is sourced from PubChem (CID 155464161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).