4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide

C23H26N4O4S — CID 170395201

IUPAC4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H26N4O4S/c1-30-17-18-12-14-27(15-13-18)32(28,29)26-23-24-21(19-8-4-2-5-9-19)16-22(25-23)31-20-10-6-3-7-11-20/h2-11,16,18H,12-15,17H2,1H3,(H,24,25,26)
InChIKeyNHUQPMUGWLKGIY-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.95
Rot. Bonds8

About 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide

4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide (PubChem CID 170395201) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide
PubChem CID170395201
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H26N4O4S/c1-30-17-18-12-14-27(15-13-18)32(28,29)26-23-24-21(19-8-4-2-5-9-19)16-22(25-23)31-20-10-6-3-7-11-20/h2-11,16,18H,12-15,17H2,1H3,(H,24,25,26)
InChIKeyNHUQPMUGWLKGIY-UHFFFAOYSA-N
XLogP3.95
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenoxy-6-phenylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 163247892
N-[4-(4-methylphenoxy)-6-phenylpyrimidin-2-yl]benzenesulfonamide
CID 170392795
methyl 4-[(4-phenoxy-6-phenylpyrimidin-2-yl)sulfamoyl]butanoate
CID 170395264
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
N-[4-(furan-3-yl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170415389
N-[4-[3-(hydroxymethyl)-5-methoxyphenyl]-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394380
N-[4-(6-amino-3-pyridinyl)-6-phenoxypyrimidin-2-yl]benzenesulfonamide
CID 170394362
N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131913968
3-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidine-1-sulfonamide
CID 166291453
(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide
CID 122566142
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-4-amine
CID 64581559
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide (CID 170395201) is 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide is COCC1CCN(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide?
The InChIKey is NHUQPMUGWLKGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-30-17-18-12-14-27(15-13-18)32(28,29)26-23-24-21(19-8-4-2-5-9-19)16-22(25-23)31-20-10-6-3-7-11-20/h2-11,16,18H,12-15,17H2,1H3,(H,24,25,26).
What are the key properties of 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide?
4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide has a molecular weight of 454.55 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-(4-phenoxy-6-phenylpyrimidin-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 170395201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).