(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide

C20H23BrN2O3S — CID 67490264

IUPAC(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-27(25,26)17-9-6-15(7-10-17)18(12-14-4-2-3-5-14)20(24)23-19-11-8-16(21)13-22-19/h6-11,13-14,18H,2-5,12H2,1H3,(H,22,23,24)
InChIKeyFWRHKYGBVILXNJ-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.55
Rot. Bonds6

About (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide

(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 67490264) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
PubChem CID67490264
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C20H23BrN2O3S/c1-27(25,26)17-9-6-15(7-10-17)18(12-14-4-2-3-5-14)20(24)23-19-11-8-16(21)13-22-19/h6-11,13-14,18H,2-5,12H2,1H3,(H,22,23,24)
InChIKeyFWRHKYGBVILXNJ-UHFFFAOYSA-N
XLogP4.55
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide (CID 67490264) is (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is FWRHKYGBVILXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-27(25,26)17-9-6-15(7-10-17)18(12-14-4-2-3-5-14)20(24)23-19-11-8-16(21)13-22-19/h6-11,13-14,18H,2-5,12H2,1H3,(H,22,23,24).
What are the key properties of (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide?
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 451.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 67490264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).