N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide

C23H37N3O4S — CID 78019142

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N(C)C2CCN(C)CC2)c(C)c1
InChIInChI=1S/C23H37N3O4S/c1-17-13-18(2)23(19(3)14-17)31(28,29)26-10-6-7-21(26)15-30-16-22(27)25(5)20-8-11-24(4)12-9-20/h13-14,20-21H,6-12,15-16H2,1-5H3
InChIKeyTYRNMSJWVZBQJX-UHFFFAOYSA-N
MW451.63 g/mol
LogP2.33
Rot. Bonds7

About N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide

N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide (PubChem CID 78019142) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
PubChem CID78019142
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N(C)C2CCN(C)CC2)c(C)c1
InChIInChI=1S/C23H37N3O4S/c1-17-13-18(2)23(19(3)14-17)31(28,29)26-10-6-7-21(26)15-30-16-22(27)25(5)20-8-11-24(4)12-9-20/h13-14,20-21H,6-12,15-16H2,1-5H3
InChIKeyTYRNMSJWVZBQJX-UHFFFAOYSA-N
XLogP2.33
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-N-methyl-2-[[(2S)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide
CID 71165939
2-[[4-(4-methoxy-2,6-dimethylphenyl)sulfonylthiomorpholin-3-yl]methoxy]-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 71166052
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
CID 4737355
N-[[4-(dimethylamino)phenyl]methyl]-2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-propan-2-ylacetamide
CID 67454704
N-methyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119991169
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid;2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetyl chloride
CID 160925171
N-[3-(piperidin-1-ylmethyl)phenyl]-2-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-2-yl]methoxy]acetamide
CID 24945251
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 68782081
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 67454278
2-[[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 67454318
2-[[(2S)-1-(4-methoxy-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]-1-[4-(3-pyrrolidin-1-ylpropyl)piperazin-4-ium-1-yl]ethanone
CID 143534448
2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-N-methyl-N-[(4-phenyl-4-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
CID 68632976

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide (CID 78019142) is N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide is Cc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)N(C)C2CCN(C)CC2)c(C)c1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
The InChIKey is TYRNMSJWVZBQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-17-13-18(2)23(19(3)14-17)31(28,29)26-10-6-7-21(26)15-30-16-22(27)25(5)20-8-11-24(4)12-9-20/h13-14,20-21H,6-12,15-16H2,1-5H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide?
N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide has a molecular weight of 451.63 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]methoxy]acetamide is sourced from PubChem (CID 78019142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).