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

C17H20BrN3O3S2 — CID 24620099

IUPAC1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCc1nc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C17H20BrN3O3S2/c1-11-12(2)25-17(19-11)20-16(22)15-5-3-4-10-21(15)26(23,24)14-8-6-13(18)7-9-14/h6-9,15H,3-5,10H2,1-2H3,(H,19,20,22)
InChIKeyJOFHMEVYKUTDOZ-UHFFFAOYSA-N
MW458.40 g/mol
LogP3.70
Rot. Bonds4

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

1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 24620099) has the molecular formula C17H20BrN3O3S2 and a molecular weight of 458.40 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID24620099
Molecular FormulaC17H20BrN3O3S2
Molecular Weight458.40 g/mol
Exact Mass457.01
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESCc1nc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(Br)cc2)sc1C
InChIInChI=1S/C17H20BrN3O3S2/c1-11-12(2)25-17(19-11)20-16(22)15-5-3-4-10-21(15)26(23,24)14-8-6-13(18)7-9-14/h6-9,15H,3-5,10H2,1-2H3,(H,19,20,22)
InChIKeyJOFHMEVYKUTDOZ-UHFFFAOYSA-N
XLogP3.70
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2S)-1-(4-methylphenyl)sulfonyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 39189814
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827627
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
1-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 2948520
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 24620099) is 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is Cc1nc(NC(=O)C2CCCCN2S(=O)(=O)c2ccc(Br)cc2)sc1C.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is JOFHMEVYKUTDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S2/c1-11-12(2)25-17(19-11)20-16(22)15-5-3-4-10-21(15)26(23,24)14-8-6-13(18)7-9-14/h6-9,15H,3-5,10H2,1-2H3,(H,19,20,22).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 458.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 24620099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).