N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C21H21N3O4S — CID 122302378

IUPACN-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15(2)29(26,27)19-10-8-16(9-11-19)12-20(25)24-17-13-22-21(23-14-17)28-18-6-4-3-5-7-18/h3-11,13-15H,12H2,1-2H3,(H,24,25)
InChIKeyZSUSEFTXQBGPQJ-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.63
Rot. Bonds7

About N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 122302378) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID122302378
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnc(Oc3ccccc3)nc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15(2)29(26,27)19-10-8-16(9-11-19)12-20(25)24-17-13-22-21(23-14-17)28-18-6-4-3-5-7-18/h3-11,13-15H,12H2,1-2H3,(H,24,25)
InChIKeyZSUSEFTXQBGPQJ-UHFFFAOYSA-N
XLogP3.63
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 122302378) is N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnc(Oc3ccccc3)nc2)cc1.
What is the InChIKey of N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is ZSUSEFTXQBGPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15(2)29(26,27)19-10-8-16(9-11-19)12-20(25)24-17-13-22-21(23-14-17)28-18-6-4-3-5-7-18/h3-11,13-15H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxypyrimidin-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 122302378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).