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

C17H20BrN3O4S — CID 15990534

IUPACN-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H20BrN3O4S/c1-11-16(12(2)25-20-11)26(23,24)21-9-7-13(8-10-21)17(22)19-15-5-3-14(18)4-6-15/h3-6,13H,7-10H2,1-2H3,(H,19,22)
InChIKeyOGFMCXNUQIDUNJ-UHFFFAOYSA-N
MW442.34 g/mol
LogP3.09
Rot. Bonds4

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

N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 15990534) has the molecular formula C17H20BrN3O4S and a molecular weight of 442.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID15990534
Molecular FormulaC17H20BrN3O4S
Molecular Weight442.34 g/mol
Exact Mass441.04
IUPAC NameN-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H20BrN3O4S/c1-11-16(12(2)25-20-11)26(23,24)21-9-7-13(8-10-21)17(22)19-15-5-3-14(18)4-6-15/h3-6,13H,7-10H2,1-2H3,(H,19,22)
InChIKeyOGFMCXNUQIDUNJ-UHFFFAOYSA-N
XLogP3.09
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 15990534) is N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is OGFMCXNUQIDUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O4S/c1-11-16(12(2)25-20-11)26(23,24)21-9-7-13(8-10-21)17(22)19-15-5-3-14(18)4-6-15/h3-6,13H,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 442.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 15990534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).