cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide

C14H18BrFN2O3S — CID 172613315

IUPACcis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)N[C@H]1CC[C@](Cc2ccc(Br)c(F)c2)(C(N)=O)C1
InChIInChI=1S/C14H18BrFN2O3S/c1-22(20,21)18-10-4-5-14(8-10,13(17)19)7-9-2-3-11(15)12(16)6-9/h2-3,6,10,18H,4-5,7-8H2,1H3,(H2,17,19)/t10-,14+/m0/s1
InChIKeyMFXVOATVLLXGLU-IINYFYTJSA-N
MW393.28 g/mol
LogP1.70
Rot. Bonds5

About cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide

cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide (PubChem CID 172613315) has the molecular formula C14H18BrFN2O3S and a molecular weight of 393.28 g/mol. Its IUPAC name is cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
PubChem CID172613315
Molecular FormulaC14H18BrFN2O3S
Molecular Weight393.28 g/mol
Exact Mass392.02
IUPAC Namecis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)N[C@H]1CC[C@](Cc2ccc(Br)c(F)c2)(C(N)=O)C1
InChIInChI=1S/C14H18BrFN2O3S/c1-22(20,21)18-10-4-5-14(8-10,13(17)19)7-9-2-3-11(15)12(16)6-9/h2-3,6,10,18H,4-5,7-8H2,1H3,(H2,17,19)/t10-,14+/m0/s1
InChIKeyMFXVOATVLLXGLU-IINYFYTJSA-N
XLogP1.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 171504734
sodium cis-(1R,3S)-1-[[4-fluoro-3-(3-fluoro-2-phenylmethoxyphenyl)phenyl]methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 172613283
cis-(1R,3S)-3-(methanesulfonamido)-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 171504737
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-chloro-3-(5-fluoropyrimidin-2-yl)phenyl]methyl]-3-(methanesulfonamido)-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 171504710
cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504776
1-O-tert-butyl 2-O-methyl (2S,4R)-2-[(3-bromo-4-fluorophenyl)methyl]-4-(methanesulfonamido)pyrrolidine-1,2-dicarboxylate
CID 177365305
N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide
CID 171504874
N-[1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidin-4-yl]methanesulfonamide
CID 87021342
cis-methyl (1R,3S)-3-(dimethylsulfamoylamino)-1-[[4-fluoro-3-(2-phenylmethoxyphenyl)phenyl]methyl]cyclopentane-1-carboxylate
CID 172613546
N-[(1S,3R)-3-[(3-bromo-4-fluorophenyl)methyl]-3-[4-[(1S)-1-phenylmethoxyethyl]-1,3-oxazol-2-yl]cyclopentyl]methanesulfonamide
CID 172613412
(1R,2S,4S)-1-[[4-fluoro-3-(2-phenylmethoxyphenyl)phenyl]methyl]-4-(methanesulfonamido)-2-methylcyclopentane-1-carboxamide
CID 172613449

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide (CID 172613315) is cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide is CS(=O)(=O)N[C@H]1CC[C@](Cc2ccc(Br)c(F)c2)(C(N)=O)C1.
What is the InChIKey of cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide?
The InChIKey is MFXVOATVLLXGLU-IINYFYTJSA-N. The full InChI is InChI=1S/C14H18BrFN2O3S/c1-22(20,21)18-10-4-5-14(8-10,13(17)19)7-9-2-3-11(15)12(16)6-9/h2-3,6,10,18H,4-5,7-8H2,1H3,(H2,17,19)/t10-,14+/m0/s1.
What are the key properties of cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide?
cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide has a molecular weight of 393.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-[(4-bromo-3-fluorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide is sourced from PubChem (CID 172613315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).