(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C22H26FN3O3S — CID 124783228

IUPAC(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3S/c23-18-8-10-20(11-9-18)30(28,29)26-13-4-7-21(26)22(27)24-19-12-14-25(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21H,4,7,12-16H2,(H,24,27)/t19-,21+/m0/s1
InChIKeyZCWYYZLZGHINIJ-PZJWPPBQSA-N
MW431.53 g/mol
LogP2.37
Rot. Bonds6

About (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 124783228) has the molecular formula C22H26FN3O3S and a molecular weight of 431.53 g/mol. Its IUPAC name is (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID124783228
Molecular FormulaC22H26FN3O3S
Molecular Weight431.53 g/mol
Exact Mass431.17
IUPAC Name(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O3S/c23-18-8-10-20(11-9-18)30(28,29)26-13-4-7-21(26)22(27)24-19-12-14-25(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21H,4,7,12-16H2,(H,24,27)/t19-,21+/m0/s1
InChIKeyZCWYYZLZGHINIJ-PZJWPPBQSA-N
XLogP2.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55735445
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
(2S)-1-(4-fluorophenyl)sulfonyl-N'-(2-phenylacetyl)piperidine-2-carbohydrazide
CID 57118359
(2S)-N-(2-benzylsulfanylethyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9490325
N-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 165340323
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46684557
(2R)-1-(benzenesulfonyl)-N'-(4-fluorophenyl)pyrrolidine-2-carbohydrazide
CID 51935537
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 9401319
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 124783228) is (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(N[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZCWYYZLZGHINIJ-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H26FN3O3S/c23-18-8-10-20(11-9-18)30(28,29)26-13-4-7-21(26)22(27)24-19-12-14-25(16-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21H,4,7,12-16H2,(H,24,27)/t19-,21+/m0/s1.
What are the key properties of (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 431.53 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124783228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).