(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide

C20H24N2O3S — CID 100851395

IUPAC(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24N2O3S/c1-15(22-13-12-17(14-22)16-8-4-3-5-9-16)20(23)21-18-10-6-7-11-19(18)26(2,24)25/h3-11,15,17H,12-14H2,1-2H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyHDCANSWPWGXMTL-NVXWUHKLSA-N
MW372.49 g/mol
LogP2.91
Rot. Bonds5

About (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide

(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide (PubChem CID 100851395) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
PubChem CID100851395
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C20H24N2O3S/c1-15(22-13-12-17(14-22)16-8-4-3-5-9-16)20(23)21-18-10-6-7-11-19(18)26(2,24)25/h3-11,15,17H,12-14H2,1-2H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyHDCANSWPWGXMTL-NVXWUHKLSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193
(2R)-N-(2,4-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851243
(2R)-N-phenyl-2-(4-phenylpiperidin-1-yl)propanamide
CID 125483089
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2-amino-N-(2-methylsulfonylphenyl)propanamide
CID 43424873
1-[1-(2-bromoanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904097
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide (CID 100851395) is (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide is C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
The InChIKey is HDCANSWPWGXMTL-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(22-13-12-17(14-22)16-8-4-3-5-9-16)20(23)21-18-10-6-7-11-19(18)26(2,24)25/h3-11,15,17H,12-14H2,1-2H3,(H,21,23)/t15-,17-/m1/s1.
What are the key properties of (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide?
(2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide has a molecular weight of 372.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methylsulfonylphenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 100851395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).