N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

C18H19F2N3O6S — CID 24532822

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1
InChIInChI=1S/C18H19F2N3O6S/c1-10-16(11(2)29-22-10)30(25,26)23-7-3-4-12(9-23)17(24)21-13-5-6-14-15(8-13)28-18(19,20)27-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,21,24)
InChIKeyCFHLJRTZJQVUER-UHFFFAOYSA-N
MW443.43 g/mol
LogP2.65
Rot. Bonds4

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 24532822) has the molecular formula C18H19F2N3O6S and a molecular weight of 443.43 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID24532822
Molecular FormulaC18H19F2N3O6S
Molecular Weight443.43 g/mol
Exact Mass443.10
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1
InChIInChI=1S/C18H19F2N3O6S/c1-10-16(11(2)29-22-10)30(25,26)23-7-3-4-12(9-23)17(24)21-13-5-6-14-15(8-13)28-18(19,20)27-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,21,24)
InChIKeyCFHLJRTZJQVUER-UHFFFAOYSA-N
XLogP2.65
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 27896491
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
N-(3-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335753
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-(3-fluorophenoxy)phenyl]piperidine-3-carboxamide
CID 55907687
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 24531918
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]piperidine-3-carboxamide
CID 55624392
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 60563323
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-[(3-fluorophenyl)methoxy]phenyl]piperidine-3-carboxamide
CID 55900762
N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 15990507
N-(4,5-dimethoxy-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532242
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 24532822) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is CFHLJRTZJQVUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O6S/c1-10-16(11(2)29-22-10)30(25,26)23-7-3-4-12(9-23)17(24)21-13-5-6-14-15(8-13)28-18(19,20)27-14/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,21,24).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 24532822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).