1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

C20H23FN2O3S — CID 24654663

IUPAC1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H23FN2O3S/c1-14-8-3-4-9-16(14)15(2)22-20(24)18-11-7-13-23(18)27(25,26)19-12-6-5-10-17(19)21/h3-6,8-10,12,15,18H,7,11,13H2,1-2H3,(H,22,24)
InChIKeyXDSUUHKVPWTNIR-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.16
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide

1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 24654663) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID24654663
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C20H23FN2O3S/c1-14-8-3-4-9-16(14)15(2)22-20(24)18-11-7-13-23(18)27(25,26)19-12-6-5-10-17(19)21/h3-6,8-10,12,15,18H,7,11,13H2,1-2H3,(H,22,24)
InChIKeyXDSUUHKVPWTNIR-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 100591301
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 42889021
[2-(2,6-dimethylanilino)-2-oxoethyl] (2R)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2437393
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24643981
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 165121500
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24639477
1-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79545883

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 24654663) is 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is Cc1ccccc1C(C)NC(=O)C1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is XDSUUHKVPWTNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-8-3-4-9-16(14)15(2)22-20(24)18-11-7-13-23(18)27(25,26)19-12-6-5-10-17(19)21/h3-6,8-10,12,15,18H,7,11,13H2,1-2H3,(H,22,24).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24654663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).