N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide

C19H24N4O4S — CID 122261147

IUPACN-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(C)n3)C2)c(C)c1
InChIInChI=1S/C19H24N4O4S/c1-13-11-16(22-15(3)24)6-7-18(13)28(25,26)23-10-4-5-17(12-23)27-19-8-9-20-14(2)21-19/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,22,24)
InChIKeyQYHUOYOLIVGJJB-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.28
Rot. Bonds5

About N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide

N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 122261147) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID122261147
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(C)n3)C2)c(C)c1
InChIInChI=1S/C19H24N4O4S/c1-13-11-16(22-15(3)24)6-7-18(13)28(25,26)23-10-4-5-17(12-23)27-19-8-9-20-14(2)21-19/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,22,24)
InChIKeyQYHUOYOLIVGJJB-UHFFFAOYSA-N
XLogP2.28
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90636815
4-[1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxy-2,6-dimethylpyrimidine
CID 122260571
N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 90639440
2-methyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261104
2-methyl-4-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261146
N-[3-(3-aminopiperidin-1-yl)sulfonyl-4-methylphenyl]acetamide
CID 60777997
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652
2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261115
N-[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122267799
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide (CID 122261147) is N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Oc3ccnc(C)n3)C2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is QYHUOYOLIVGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13-11-16(22-15(3)24)6-7-18(13)28(25,26)23-10-4-5-17(12-23)27-19-8-9-20-14(2)21-19/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,22,24).
What are the key properties of N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide?
N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 122261147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).