N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide

C25H28BrFN2O4S — CID 172613412

IUPACN-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide
SMILESC[C@H](OCc1ccccc1)c1coc([C@@]2(Cc3ccc(F)c(Br)c3)CC[C@H](NS(C)(=O)=O)C2)n1
InChIInChI=1S/C25H28BrFN2O4S/c1-17(32-15-18-6-4-3-5-7-18)23-16-33-24(28-23)25(11-10-20(14-25)29-34(2,30)31)13-19-8-9-22(27)21(26)12-19/h3-9,12,16-17,20,29H,10-11,13-15H2,1-2H3/t17-,20-,25+/m0/s1
InChIKeyLBFVRXUKNGHRID-APJQNUAFSA-N
MW551.48 g/mol
LogP5.44
Rot. Bonds9

About N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide

N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide (PubChem CID 172613412) has the molecular formula C25H28BrFN2O4S and a molecular weight of 551.48 g/mol. Its IUPAC name is N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide
PubChem CID172613412
Molecular FormulaC25H28BrFN2O4S
Molecular Weight551.48 g/mol
Exact Mass550.09
IUPAC NameN-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide
SMILESC[C@H](OCc1ccccc1)c1coc([C@@]2(Cc3ccc(F)c(Br)c3)CC[C@H](NS(C)(=O)=O)C2)n1
InChIInChI=1S/C25H28BrFN2O4S/c1-17(32-15-18-6-4-3-5-7-18)23-16-33-24(28-23)25(11-10-20(14-25)29-34(2,30)31)13-19-8-9-22(27)21(26)12-19/h3-9,12,16-17,20,29H,10-11,13-15H2,1-2H3/t17-,20-,25+/m0/s1
InChIKeyLBFVRXUKNGHRID-APJQNUAFSA-N
XLogP5.44
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide 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

cis-methyl (1R,3S)-1-[[4-fluoro-3-(2-methyl-4-phenylmethoxy-1,3-thiazol-5-yl)phenyl]methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 172613039
cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
CID 172613315
sodium cis-(1R,3S)-1-[[4-fluoro-3-(3-fluoro-2-phenylmethoxyphenyl)phenyl]methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 172613283
(1R,2S,4S)-1-[[4-fluoro-3-(2-phenylmethoxyphenyl)phenyl]methyl]-4-(methanesulfonamido)-2-methylcyclopentane-1-carboxamide
CID 172613449
N-[1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidin-4-yl]methanesulfonamide
CID 87021342
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
cis-methyl (1R,3S)-3-(dimethylsulfamoylamino)-1-[[4-fluoro-3-(2-phenylmethoxyphenyl)phenyl]methyl]cyclopentane-1-carboxylate
CID 172613546
cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 171504734
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65422980
N-[2-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 137461238
N-[(1S,3S)-3-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-3-[[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]oxymethyl]cyclopentyl]methanesulfonamide
CID 172613458
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide (CID 172613412) is N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide is C[C@H](OCc1ccccc1)c1coc([C@@]2(Cc3ccc(F)c(Br)c3)CC[C@H](NS(C)(=O)=O)C2)n1.
What is the InChIKey of N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide?
The InChIKey is LBFVRXUKNGHRID-APJQNUAFSA-N. The full InChI is InChI=1S/C25H28BrFN2O4S/c1-17(32-15-18-6-4-3-5-7-18)23-16-33-24(28-23)25(11-10-20(14-25)29-34(2,30)31)13-19-8-9-22(27)21(26)12-19/h3-9,12,16-17,20,29H,10-11,13-15H2,1-2H3/t17-,20-,25+/m0/s1.
What are the key properties of N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide?
N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide has a molecular weight of 551.48 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 172613412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).