N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide

C21H26BrN3O3S — CID 55913923

IUPACN-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C21H26BrN3O3S/c1-15(2)13-16-3-6-19(7-4-16)29(27,28)25-11-9-17(10-12-25)21(26)24-20-8-5-18(22)14-23-20/h3-8,14-15,17H,9-13H2,1-2H3,(H,23,24,26)
InChIKeySCTVKVQQTGHQFR-UHFFFAOYSA-N
MW480.43 g/mol
LogP4.08
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 55913923) has the molecular formula C21H26BrN3O3S and a molecular weight of 480.43 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID55913923
Molecular FormulaC21H26BrN3O3S
Molecular Weight480.43 g/mol
Exact Mass479.09
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESCC(C)Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C21H26BrN3O3S/c1-15(2)13-16-3-6-19(7-4-16)29(27,28)25-11-9-17(10-12-25)21(26)24-20-8-5-18(22)14-23-20/h3-8,14-15,17H,9-13H2,1-2H3,(H,23,24,26)
InChIKeySCTVKVQQTGHQFR-UHFFFAOYSA-N
XLogP4.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55363461
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CID 56549938
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919
ethyl 5-[4-[(5-bromo-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55756486
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
1-(4-methylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 26068233
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 100798986
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 1327310
1-[(4-bromophenyl)methylsulfonyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43885234
N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 55816046

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide (CID 55913923) is N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide is CC(C)Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is SCTVKVQQTGHQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN3O3S/c1-15(2)13-16-3-6-19(7-4-16)29(27,28)25-11-9-17(10-12-25)21(26)24-20-8-5-18(22)14-23-20/h3-8,14-15,17H,9-13H2,1-2H3,(H,23,24,26).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 480.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[4-(2-methylpropyl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55913923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).