N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide

C25H32N2O4S — CID 154622442

IUPACN-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O4S/c1-32(29,30)26-23-16-25(28)27(17-19-8-4-2-5-9-19)24(23)18-31-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-11,21-24,26H,12-18H2,1H3/t21?,22?,23-,24-/m0/s1
InChIKeyOOOVEOGXWSASRZ-MXXWWZHRSA-N
MW456.61 g/mol
LogP3.45
Rot. Bonds8

About N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide

N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 154622442) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID154622442
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC NameN-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H32N2O4S/c1-32(29,30)26-23-16-25(28)27(17-19-8-4-2-5-9-19)24(23)18-31-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-11,21-24,26H,12-18H2,1H3/t21?,22?,23-,24-/m0/s1
InChIKeyOOOVEOGXWSASRZ-MXXWWZHRSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,3S)-1-methyl-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 154681368
3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylic acid
CID 172784142
N-[3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125966
N-[(4S)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 164799394
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089
N-[(3S)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 155054694
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125819
methyl (2S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
CID 175456724
(2R,3S)-N-cyclopropyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxamide
CID 154681390
methyl (2R,3S,5S)-5-formyl-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidine-1-carboxylate
CID 154622487
N-[(3S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 166587272
N-[(2R,3S)-1-(2-cyclopropyl-1,3-thiazol-4-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
CID 159021579

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide (CID 154622442) is N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@H]1CC(=O)N(Cc2ccccc2)[C@H]1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is OOOVEOGXWSASRZ-MXXWWZHRSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-32(29,30)26-23-16-25(28)27(17-19-8-4-2-5-9-19)24(23)18-31-22-14-12-21(13-15-22)20-10-6-3-7-11-20/h2-11,21-24,26H,12-18H2,1H3/t21?,22?,23-,24-/m0/s1.
What are the key properties of N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 456.61 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-benzyl-5-oxo-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 154622442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).