(2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate

C21H22N2O6S — CID 42973160

IUPAC(2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate
SMILESO=C(COC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O6S/c24-19(22-20(25)16-9-3-1-4-10-16)15-29-21(26)18-13-7-8-14-23(18)30(27,28)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,22,24,25)
InChIKeyCHAABQJMBGVEQL-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.73
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate

(2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate (PubChem CID 42973160) has the molecular formula C21H22N2O6S and a molecular weight of 430.48 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate
PubChem CID42973160
Molecular FormulaC21H22N2O6S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC Name(2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate
SMILESO=C(COC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O6S/c24-19(22-20(25)16-9-3-1-4-10-16)15-29-21(26)18-13-7-8-14-23(18)30(27,28)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,22,24,25)
InChIKeyCHAABQJMBGVEQL-UHFFFAOYSA-N
XLogP1.73
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42981676
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 55355228
(4-chlorophenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 18281212
(4-methylphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 18227376
[2-(tert-butylamino)-2-oxoethyl] (2S)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617586
[2-(cyclopentylamino)-2-oxoethyl] (2R)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 7617627
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
[2-(2-chloroanilino)-2-oxoethyl] (2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2598923
2-oxopropyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate
CID 42978293
[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 42983209
1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
CID 165347800
(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 55321041

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate (CID 42973160) is (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate is O=C(COC(=O)C1CCCCN1S(=O)(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate?
The InChIKey is CHAABQJMBGVEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6S/c24-19(22-20(25)16-9-3-1-4-10-16)15-29-21(26)18-13-7-8-14-23(18)30(27,28)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2,(H,22,24,25).
What are the key properties of (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate?
(2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate has a molecular weight of 430.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 1-(benzenesulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 42973160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).