(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C22H28N2O3S — CID 98598919

IUPAC(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-16-28(26,27)24-15-7-10-21(24)22(25)23-17(2)18-11-13-20(14-12-18)19-8-5-4-6-9-19/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3,(H,23,25)/t17-,21-/m1/s1
InChIKeyYAEOLEDFVVWSKD-DYESRHJHSA-N
MW400.54 g/mol
LogP3.73
Rot. Bonds7

About (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 98598919) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID98598919
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-3-16-28(26,27)24-15-7-10-21(24)22(25)23-17(2)18-11-13-20(14-12-18)19-8-5-4-6-9-19/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3,(H,23,25)/t17-,21-/m1/s1
InChIKeyYAEOLEDFVVWSKD-DYESRHJHSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-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

Related Compounds

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966262
3-phenyl-2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119165885
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241405
1-propylsulfonyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 51248071
2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 18509091
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134035793
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 98598919) is (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is YAEOLEDFVVWSKD-DYESRHJHSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-16-28(26,27)24-15-7-10-21(24)22(25)23-17(2)18-11-13-20(14-12-18)19-8-5-4-6-9-19/h4-6,8-9,11-14,17,21H,3,7,10,15-16H2,1-2H3,(H,23,25)/t17-,21-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(4-phenylphenyl)ethyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 98598919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).