2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide

C20H24BrN3O3S — CID 22315256

IUPAC2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide
SMILESCc1nccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Br)c2)n1
InChIInChI=1S/C20H24BrN3O3S/c1-13-22-10-9-19(23-13)24-20(25)16(11-14-5-3-4-6-14)15-7-8-18(17(21)12-15)28(2,26)27/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,22,23,24,25)
InChIKeyGEHQJNCPBIGODE-UHFFFAOYSA-N
MW466.40 g/mol
LogP4.25
Rot. Bonds6

About 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide

2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide (PubChem CID 22315256) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide
PubChem CID22315256
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC Name2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide
SMILESCc1nccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Br)c2)n1
InChIInChI=1S/C20H24BrN3O3S/c1-13-22-10-9-19(23-13)24-20(25)16(11-14-5-3-4-6-14)15-7-8-18(17(21)12-15)28(2,26)27/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,22,23,24,25)
InChIKeyGEHQJNCPBIGODE-UHFFFAOYSA-N
XLogP4.25
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide;methane
CID 162198368
N-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
CID 10279026
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentylpropanamide
CID 18626638
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-4-ylpropanamide
CID 22315215
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
CID 23394564
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyrimidin-2-ylpropanamide
CID 22315196
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-ethylpyrazol-3-yl)propanamide
CID 24889669
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide
CID 10276120
3-cyclopentyl-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]-N-quinolin-2-ylpropanamide
CID 10300058
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
CID 67189693
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(3-methyl-5-methylsulfonylpyrazin-2-yl)propanamide
CID 77300481
(2R)-2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-[5-(methylsulfonylmethyl)pyrazin-2-yl]propanamide
CID 10051679

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide?
The IUPAC name of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide (CID 22315256) is 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide?
The canonical SMILES for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide is Cc1nccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Br)c2)n1.
What is the InChIKey of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide?
The InChIKey is GEHQJNCPBIGODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-13-22-10-9-19(23-13)24-20(25)16(11-14-5-3-4-6-14)15-7-8-18(17(21)12-15)28(2,26)27/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,22,23,24,25).
What are the key properties of 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide?
2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide has a molecular weight of 466.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylsulfonylphenyl)-3-cyclopentyl-N-(2-methylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 22315256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).