1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide

C20H22N4O4S — CID 15993913

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
InChIInChI=1S/C20H22N4O4S/c1-2-14-7-3-4-9-16(14)21-20(25)15-8-6-12-24(13-15)29(26,27)18-11-5-10-17-19(18)23-28-22-17/h3-5,7,9-11,15H,2,6,8,12-13H2,1H3,(H,21,25)
InChIKeyUDSYVHNCWZSCLM-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.82
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide (PubChem CID 15993913) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
PubChem CID15993913
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
InChIInChI=1S/C20H22N4O4S/c1-2-14-7-3-4-9-16(14)21-20(25)15-8-6-12-24(13-15)29(26,27)18-11-5-10-17-19(18)23-28-22-17/h3-5,7,9-11,15H,2,6,8,12-13H2,1H3,(H,21,25)
InChIKeyUDSYVHNCWZSCLM-UHFFFAOYSA-N
XLogP2.82
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 22430705
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cyclopentylpiperidine-3-carboxamide
CID 4306785
(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 7014300
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
(3S)-N-(2-ethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075629
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1456841
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 22586204
(3R)-N-(2-ethylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895880
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 6619281

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide (CID 15993913) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide is CCc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
The InChIKey is UDSYVHNCWZSCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-2-14-7-3-4-9-16(14)21-20(25)15-8-6-12-24(13-15)29(26,27)18-11-5-10-17-19(18)23-28-22-17/h3-5,7,9-11,15H,2,6,8,12-13H2,1H3,(H,21,25).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 15993913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).