N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide

C23H28N2O4S — CID 171504874

IUPACN-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N2CCCO2)C1
InChIInChI=1S/C23H28N2O4S/c1-30(27,28)24-21-11-12-23(17-21,22(26)25-13-6-14-29-25)16-18-7-5-10-20(15-18)19-8-3-2-4-9-19/h2-5,7-10,15,21,24H,6,11-14,16-17H2,1H3/t21-,23+/m0/s1
InChIKeyLEUZHVNQMHOSFM-JTHBVZDNSA-N
MW428.55 g/mol
LogP3.15
Rot. Bonds6

About N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide

N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide (PubChem CID 171504874) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide
PubChem CID171504874
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N2CCCO2)C1
InChIInChI=1S/C23H28N2O4S/c1-30(27,28)24-21-11-12-23(17-21,22(26)25-13-6-14-29-25)16-18-7-5-10-20(15-18)19-8-3-2-4-9-19/h2-5,7-10,15,21,24H,6,11-14,16-17H2,1H3/t21-,23+/m0/s1
InChIKeyLEUZHVNQMHOSFM-JTHBVZDNSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-(methanesulfonamido)-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 171504737
(2S,4R)-4-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]oxolane-2-carboxylic acid
CID 177365220
cis-(1R,3S)-N-hydroxy-3-(methanesulfonamido)-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504776
cis-methyl (1R,3S)-1-[(3-chlorophenyl)methyl]-3-(methanesulfonamido)cyclopentane-1-carboxylate
CID 171504734
3-(methanesulfonamido)-N-methoxy-N-methyl-1-[(3-pyrimidin-2-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 171504775
cis-(1R,3S)-1-[[3-(5-chloropyrimidin-2-yl)phenyl]methyl]-3-(methanesulfonamido)-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 171504797
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
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
(1-methylcyclopropyl)methyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]pyrrolidine-1-carboxylate
CID 137461947
N-[(6S,7S)-5-(1-hydroxycyclobutanecarbonyl)-6-[(3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036718
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide?
The IUPAC name of N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide (CID 171504874) is N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide is CS(=O)(=O)N[C@H]1CC[C@](Cc2cccc(-c3ccccc3)c2)(C(=O)N2CCCO2)C1.
What is the InChIKey of N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide?
The InChIKey is LEUZHVNQMHOSFM-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-30(27,28)24-21-11-12-23(17-21,22(26)25-13-6-14-29-25)16-18-7-5-10-20(15-18)19-8-3-2-4-9-19/h2-5,7-10,15,21,24H,6,11-14,16-17H2,1H3/t21-,23+/m0/s1.
What are the key properties of N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide?
N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide has a molecular weight of 428.55 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(1,2-oxazolidine-2-carbonyl)-3-[(3-phenylphenyl)methyl]cyclopentyl]methanesulfonamide is sourced from PubChem (CID 171504874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).