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

C21H30N4O4S — CID 155780591

IUPACN-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nnc(N2CC[C@H](NS(C)(=O)=O)[C@@H]2COC2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C21H30N4O4S/c1-15-22-23-21(29-15)25-13-12-19(24-30(2,26)27)20(25)14-28-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-20,24H,8-14H2,1-2H3/t17?,18?,19-,20-/m0/s1
InChIKeyBLPFNYMHJMUNOB-GUMHCPJTSA-N
MW434.56 g/mol
LogP2.62
Rot. Bonds7

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

N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 155780591) has the molecular formula C21H30N4O4S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID155780591
Molecular FormulaC21H30N4O4S
Molecular Weight434.56 g/mol
Exact Mass434.20
IUPAC NameN-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCc1nnc(N2CC[C@H](NS(C)(=O)=O)[C@@H]2COC2CCC(c3ccccc3)CC2)o1
InChIInChI=1S/C21H30N4O4S/c1-15-22-23-21(29-15)25-13-12-19(24-30(2,26)27)20(25)14-28-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-20,24H,8-14H2,1-2H3/t17?,18?,19-,20-/m0/s1
InChIKeyBLPFNYMHJMUNOB-GUMHCPJTSA-N
XLogP2.62
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide (CID 155780591) is N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide is Cc1nnc(N2CC[C@H](NS(C)(=O)=O)[C@@H]2COC2CCC(c3ccccc3)CC2)o1.
What is the InChIKey of N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BLPFNYMHJMUNOB-GUMHCPJTSA-N. The full InChI is InChI=1S/C21H30N4O4S/c1-15-22-23-21(29-15)25-13-12-19(24-30(2,26)27)20(25)14-28-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-20,24H,8-14H2,1-2H3/t17?,18?,19-,20-/m0/s1.
What are the key properties of N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 434.56 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 155780591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).