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

C20H20N4O5S — CID 22430705

IUPACN-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)cc1
InChIInChI=1S/C20H20N4O5S/c1-13(25)14-7-9-16(10-8-14)21-20(26)15-4-3-11-24(12-15)30(27,28)18-6-2-5-17-19(18)23-29-22-17/h2,5-10,15H,3-4,11-12H2,1H3,(H,21,26)
InChIKeyQTGTZTXSRPOKPJ-UHFFFAOYSA-N
MW428.47 g/mol
LogP2.46
Rot. Bonds5

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

N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 22430705) has the molecular formula C20H20N4O5S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide
PubChem CID22430705
Molecular FormulaC20H20N4O5S
Molecular Weight428.47 g/mol
Exact Mass428.12
IUPAC NameN-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)cc1
InChIInChI=1S/C20H20N4O5S/c1-13(25)14-7-9-16(10-8-14)21-20(26)15-4-3-11-24(12-15)30(27,28)18-6-2-5-17-19(18)23-29-22-17/h2,5-10,15H,3-4,11-12H2,1H3,(H,21,26)
InChIKeyQTGTZTXSRPOKPJ-UHFFFAOYSA-N
XLogP2.46
TPSA122.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 15993913
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cyclopentylpiperidine-3-carboxamide
CID 4306785
methyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate
CID 22429380
(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 7014300
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 22429381
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 22586204
N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876129
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,1,3-benzoxadiazole
CID 5062819
[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 22430710
ethyl 3-[[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]benzoate
CID 92661342
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 2981126
(3R)-N-(4-acetylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896034

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide (CID 22430705) is N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide is CC(=O)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is QTGTZTXSRPOKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S/c1-13(25)14-7-9-16(10-8-14)21-20(26)15-4-3-11-24(12-15)30(27,28)18-6-2-5-17-19(18)23-29-22-17/h2,5-10,15H,3-4,11-12H2,1H3,(H,21,26).
What are the key properties of N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide?
N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 22430705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).