[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

C25H32N2O5S — CID 41150745

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C25H32N2O5S/c1-18-14-19(2)24(20(3)15-18)33(30,31)27-12-10-22(11-13-27)25(29)32-17-23(28)26(4)16-21-8-6-5-7-9-21/h5-9,14-15,22H,10-13,16-17H2,1-4H3
InChIKeyFTYUFUGRIIFTKP-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.21
Rot. Bonds7

About [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 41150745) has the molecular formula C25H32N2O5S and a molecular weight of 472.61 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID41150745
Molecular FormulaC25H32N2O5S
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C25H32N2O5S/c1-18-14-19(2)24(20(3)15-18)33(30,31)27-12-10-22(11-13-27)25(29)32-17-23(28)26(4)16-21-8-6-5-7-9-21/h5-9,14-15,22H,10-13,16-17H2,1-4H3
InChIKeyFTYUFUGRIIFTKP-UHFFFAOYSA-N
XLogP3.21
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate with MolForge

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809002
N-benzyl-N-(cyanomethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55864228
N-benzyl-N-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5110733
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836718
2-(1,3-dioxoisoindol-2-yl)ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150714
N-methyl-N-(2-phenoxyethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27740937
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46580296
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 52572588
[2-oxo-2-(quinolin-5-ylamino)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24593960
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2123086

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate (CID 41150745) is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)OCC(=O)N(C)Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FTYUFUGRIIFTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5S/c1-18-14-19(2)24(20(3)15-18)33(30,31)27-12-10-22(11-13-27)25(29)32-17-23(28)26(4)16-21-8-6-5-7-9-21/h5-9,14-15,22H,10-13,16-17H2,1-4H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 472.61 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 41150745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).