2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide

C20H19N3O4S — CID 134433610

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(C)nc(S(=O)(=O)CC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O4S/c1-14-12-15(2)22-20(21-14)28(25,26)13-19(24)23-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeySKKIYKRZABSSTJ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.30
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide (PubChem CID 134433610) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide
PubChem CID134433610
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc(C)nc(S(=O)(=O)CC(=O)Nc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H19N3O4S/c1-14-12-15(2)22-20(21-14)28(25,26)13-19(24)23-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeySKKIYKRZABSSTJ-UHFFFAOYSA-N
XLogP3.30
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide (CID 134433610) is 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide is Cc1cc(C)nc(S(=O)(=O)CC(=O)Nc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
The InChIKey is SKKIYKRZABSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-12-15(2)22-20(21-14)28(25,26)13-19(24)23-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide has a molecular weight of 397.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 134433610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).