(2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

C21H24N2O5S — CID 11849704

IUPAC(2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1
InChIKeyMGSUQMDEOVWSSY-UUSAFJCLSA-N
MW416.50 g/mol
LogP1.77
Rot. Bonds8

About (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide

(2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 11849704) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID11849704
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name(2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1
InChIKeyMGSUQMDEOVWSSY-UUSAFJCLSA-N
XLogP1.77
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide 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 (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (CID 11849704) is (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NC(C=O)Cc2ccccc2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is MGSUQMDEOVWSSY-UUSAFJCLSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-28-18-9-11-19(12-10-18)29(26,27)23-13-5-8-20(23)21(25)22-17(15-24)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15,17,20H,5,8,13-14H2,1H3,(H,22,25)/t17?,20-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide?
(2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)sulfonyl-N-(1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11849704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).