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

C18H22BrN3O4S — CID 15990507

IUPACN-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1Br
InChIInChI=1S/C18H22BrN3O4S/c1-11-10-15(4-5-16(11)19)20-18(23)14-6-8-22(9-7-14)27(24,25)17-12(2)21-26-13(17)3/h4-5,10,14H,6-9H2,1-3H3,(H,20,23)
InChIKeyJBYOOBFPJFPAIM-UHFFFAOYSA-N
MW456.36 g/mol
LogP3.40
Rot. Bonds4

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

N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 15990507) has the molecular formula C18H22BrN3O4S and a molecular weight of 456.36 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID15990507
Molecular FormulaC18H22BrN3O4S
Molecular Weight456.36 g/mol
Exact Mass455.05
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1Br
InChIInChI=1S/C18H22BrN3O4S/c1-11-10-15(4-5-16(11)19)20-18(23)14-6-8-22(9-7-14)27(24,25)17-12(2)21-26-13(17)3/h4-5,10,14H,6-9H2,1-3H3,(H,20,23)
InChIKeyJBYOOBFPJFPAIM-UHFFFAOYSA-N
XLogP3.40
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 16566400
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 36671702
N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26715661
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 55517518
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26923126
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9087310
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 22109175
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
(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-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 15990507) is N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is JBYOOBFPJFPAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O4S/c1-11-10-15(4-5-16(11)19)20-18(23)14-6-8-22(9-7-14)27(24,25)17-12(2)21-26-13(17)3/h4-5,10,14H,6-9H2,1-3H3,(H,20,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 456.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 15990507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).