[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

C24H38N2O7S — CID 47003887

IUPAC[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOCCN(CCOC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H38N2O7S/c1-24(2,3)20-6-8-21(9-7-20)34(29,30)26-12-10-19(11-13-26)23(28)33-18-22(27)25(14-16-31-4)15-17-32-5/h6-9,19H,10-18H2,1-5H3
InChIKeyJVRSMKLPIIYFQC-UHFFFAOYSA-N
MW498.64 g/mol
LogP2.05
Rot. Bonds11

About [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 47003887) has the molecular formula C24H38N2O7S and a molecular weight of 498.64 g/mol. Its IUPAC name is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID47003887
Molecular FormulaC24H38N2O7S
Molecular Weight498.64 g/mol
Exact Mass498.24
IUPAC Name[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOCCN(CCOC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H38N2O7S/c1-24(2,3)20-6-8-21(9-7-20)34(29,30)26-12-10-19(11-13-26)23(28)33-18-22(27)25(14-16-31-4)15-17-32-5/h6-9,19H,10-18H2,1-5H3
InChIKeyJVRSMKLPIIYFQC-UHFFFAOYSA-N
XLogP2.05
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.64
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 55311954
(2-oxo-2-propan-2-yloxyethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 46658315
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 31226393
cis-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 9230393
trans-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 9230392
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55404012
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 4064757
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 43028510
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602604
(3S)-1-(4-tert-butylphenyl)sulfonyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 7441886

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (CID 47003887) is [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is COCCN(CCOC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is JVRSMKLPIIYFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O7S/c1-24(2,3)20-6-8-21(9-7-20)34(29,30)26-12-10-19(11-13-26)23(28)33-18-22(27)25(14-16-31-4)15-17-32-5/h6-9,19H,10-18H2,1-5H3.
What are the key properties of [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 498.64 g/mol, XLogP of 2.05, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 47003887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).