2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide

C19H24N4O6S2 — CID 25168049

IUPAC2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H24N4O6S2/c1-30(25,26)12-16-11-17(23-7-9-29-10-8-23)22-19(21-16)14-3-5-15(6-4-14)20-18(24)13-31(2,27)28/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,24)
InChIKeyCDWVWUJCFHLTDJ-UHFFFAOYSA-N
MW468.56 g/mol
LogP0.51
Rot. Bonds7

About 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide

2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide (PubChem CID 25168049) has the molecular formula C19H24N4O6S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
PubChem CID25168049
Molecular FormulaC19H24N4O6S2
Molecular Weight468.56 g/mol
Exact Mass468.11
IUPAC Name2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H24N4O6S2/c1-30(25,26)12-16-11-17(23-7-9-29-10-8-23)22-19(21-16)14-3-5-15(6-4-14)20-18(24)13-31(2,27)28/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,24)
InChIKeyCDWVWUJCFHLTDJ-UHFFFAOYSA-N
XLogP0.51
TPSA135.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide (CID 25168049) is 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide is CS(=O)(=O)CC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
The InChIKey is CDWVWUJCFHLTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6S2/c1-30(25,26)12-16-11-17(23-7-9-29-10-8-23)22-19(21-16)14-3-5-15(6-4-14)20-18(24)13-31(2,27)28/h3-6,11H,7-10,12-13H2,1-2H3,(H,20,24).
What are the key properties of 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide has a molecular weight of 468.56 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25168049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).