1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C17H20FN3O4S — CID 110349374

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)no1
InChIInChI=1S/C17H20FN3O4S/c1-11-9-14(18)3-4-15(11)26(23,24)21-7-5-13(6-8-21)17(22)19-16-10-12(2)25-20-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,20,22)
InChIKeyLCRWLLDQGZJJAO-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.47
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 110349374) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID110349374
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)no1
InChIInChI=1S/C17H20FN3O4S/c1-11-9-14(18)3-4-15(11)26(23,24)21-7-5-13(6-8-21)17(22)19-16-10-12(2)25-20-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,20,22)
InChIKeyLCRWLLDQGZJJAO-UHFFFAOYSA-N
XLogP2.47
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 27234775
1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 22576729
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 32896788
N-[1-(2,5-difluorophenyl)ethyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46591322
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
1-(2-chloro-4-fluorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 123595033
1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 46288910
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 110349374) is 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)no1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is LCRWLLDQGZJJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-11-9-14(18)3-4-15(11)26(23,24)21-7-5-13(6-8-21)17(22)19-16-10-12(2)25-20-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,20,22).
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 110349374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).