(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide

C20H23FN2O3S — CID 110305953

IUPAC(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O3S/c21-18-10-5-4-9-17(18)12-14-27(25,26)23-13-6-11-19(23)20(24)22-15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,22,24)/t19-/m0/s1
InChIKeyGCQCEANLIWQRSX-IBGZPJMESA-N
MW390.48 g/mol
LogP2.48
Rot. Bonds7

About (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide (PubChem CID 110305953) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
PubChem CID110305953
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1F
InChIInChI=1S/C20H23FN2O3S/c21-18-10-5-4-9-17(18)12-14-27(25,26)23-13-6-11-19(23)20(24)22-15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,22,24)/t19-/m0/s1
InChIKeyGCQCEANLIWQRSX-IBGZPJMESA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[4-(2-fluorophenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110625873
(2S)-N-benzyl-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286174
N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966570
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427
1-(4-bromophenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 24619780
1-(5-chlorothiophen-2-yl)sulfonyl-N-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 42937620
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
(2S)-N-benzyl-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286168
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide (CID 110305953) is (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1F.
What is the InChIKey of (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is GCQCEANLIWQRSX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23FN2O3S/c21-18-10-5-4-9-17(18)12-14-27(25,26)23-13-6-11-19(23)20(24)22-15-16-7-2-1-3-8-16/h1-5,7-10,19H,6,11-15H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-[2-(2-fluorophenyl)ethylsulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110305953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).