ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate

C19H27FN2O6S — CID 55726709

IUPACethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O6S/c1-3-28-18(23)14-21(12-13-27-2)19(24)15-8-10-22(11-9-15)29(25,26)17-7-5-4-6-16(17)20/h4-7,15H,3,8-14H2,1-2H3
InChIKeyZMILVCQZDAUIQU-UHFFFAOYSA-N
MW430.50 g/mol
LogP1.26
Rot. Bonds9

About ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate (PubChem CID 55726709) has the molecular formula C19H27FN2O6S and a molecular weight of 430.50 g/mol. Its IUPAC name is ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate
PubChem CID55726709
Molecular FormulaC19H27FN2O6S
Molecular Weight430.50 g/mol
Exact Mass430.16
IUPAC Nameethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H27FN2O6S/c1-3-28-18(23)14-21(12-13-27-2)19(24)15-8-10-22(11-9-15)29(25,26)17-7-5-4-6-16(17)20/h4-7,15H,3,8-14H2,1-2H3
InChIKeyZMILVCQZDAUIQU-UHFFFAOYSA-N
XLogP1.26
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
1-(2,6-dichlorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)piperidine-4-carboxamide
CID 55348756
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27826689
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27670600
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60620709
ethyl 2-[ethyl-(1-methylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 61012248
pent-4-ynyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 86827180
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906153
ethyl 2-[[1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 55985189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate (CID 55726709) is ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is ZMILVCQZDAUIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O6S/c1-3-28-18(23)14-21(12-13-27-2)19(24)15-8-10-22(11-9-15)29(25,26)17-7-5-4-6-16(17)20/h4-7,15H,3,8-14H2,1-2H3.
What are the key properties of ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 430.50 g/mol, XLogP of 1.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 55726709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).