methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate

C21H32N2O6S — CID 59885511

IUPACmethyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC(c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(CNS(C)(=O)=O)C1
InChIInChI=1S/C21H32N2O6S/c1-21(13-22-30(4,25)26)14-23(20(24)28-3)12-17(21)15-9-10-18(27-2)19(11-15)29-16-7-5-6-8-16/h9-11,16-17,22H,5-8,12-14H2,1-4H3/t17?,21-/m0/s1
InChIKeyMRIVOUIANBJOGA-LFABVHOISA-N
MW440.56 g/mol
LogP2.74
Rot. Bonds7

About methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate

methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 59885511) has the molecular formula C21H32N2O6S and a molecular weight of 440.56 g/mol. Its IUPAC name is methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID59885511
Molecular FormulaC21H32N2O6S
Molecular Weight440.56 g/mol
Exact Mass440.20
IUPAC Namemethyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC(c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(CNS(C)(=O)=O)C1
InChIInChI=1S/C21H32N2O6S/c1-21(13-22-30(4,25)26)14-23(20(24)28-3)12-17(21)15-9-10-18(27-2)19(11-15)29-16-7-5-6-8-16/h9-11,16-17,22H,5-8,12-14H2,1-4H3/t17?,21-/m0/s1
InChIKeyMRIVOUIANBJOGA-LFABVHOISA-N
XLogP2.74
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate 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 methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate (CID 59885511) is methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate is COC(=O)N1CC(c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(CNS(C)(=O)=O)C1.
What is the InChIKey of methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is MRIVOUIANBJOGA-LFABVHOISA-N. The full InChI is InChI=1S/C21H32N2O6S/c1-21(13-22-30(4,25)26)14-23(20(24)28-3)12-17(21)15-9-10-18(27-2)19(11-15)29-16-7-5-6-8-16/h9-11,16-17,22H,5-8,12-14H2,1-4H3/t17?,21-/m0/s1.
What are the key properties of methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate?
methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 440.56 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(methanesulfonamidomethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 59885511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).