2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide

C15H20BrNO3S — CID 18626638

IUPAC2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(N)=O)cc1Br
InChIInChI=1S/C15H20BrNO3S/c1-21(19,20)14-7-6-11(9-13(14)16)12(15(17)18)8-10-4-2-3-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,18)
InChIKeyBAFJEQPIGSKHHV-UHFFFAOYSA-N
MW374.30 g/mol
LogP3.00
Rot. Bonds5

About 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide

2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide (PubChem CID 18626638) has the molecular formula C15H20BrNO3S and a molecular weight of 374.30 g/mol. Its IUPAC name is 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
PubChem CID18626638
Molecular FormulaC15H20BrNO3S
Molecular Weight374.30 g/mol
Exact Mass373.03
IUPAC Name2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(N)=O)cc1Br
InChIInChI=1S/C15H20BrNO3S/c1-21(19,20)14-7-6-11(9-13(14)16)12(15(17)18)8-10-4-2-3-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,18)
InChIKeyBAFJEQPIGSKHHV-UHFFFAOYSA-N
XLogP3.00
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
The IUPAC name of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide (CID 18626638) is 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide.
What is the SMILES notation for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
The canonical SMILES for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(N)=O)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
The InChIKey is BAFJEQPIGSKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3S/c1-21(19,20)14-7-6-11(9-13(14)16)12(15(17)18)8-10-4-2-3-5-10/h6-7,9-10,12H,2-5,8H2,1H3,(H2,17,18).
What are the key properties of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide?
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide has a molecular weight of 374.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide is sourced from PubChem (CID 18626638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).