(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

C15H18FN3O3S — CID 35380970

IUPAC(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H18FN3O3S/c1-18(10-12-8-11(9-17)5-6-13(12)16)15(20)14-4-3-7-19(14)23(2,21)22/h5-6,8,14H,3-4,7,10H2,1-2H3/t14-/m1/s1
InChIKeyKIPKDJFMXJOZFE-CQSZACIVSA-N
MW339.39 g/mol
LogP1.08
Rot. Bonds4

About (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 35380970) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID35380970
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC Name(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCN1S(C)(=O)=O
InChIInChI=1S/C15H18FN3O3S/c1-18(10-12-8-11(9-17)5-6-13(12)16)15(20)14-4-3-7-19(14)23(2,21)22/h5-6,8,14H,3-4,7,10H2,1-2H3/t14-/m1/s1
InChIKeyKIPKDJFMXJOZFE-CQSZACIVSA-N
XLogP1.08
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
N-[(2,4-dimethylphenyl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 47021840
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61365245
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylbut-2-enamide
CID 112727359
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56864939
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56861416
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide
CID 55966830
(2R)-N-methyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 124815201
N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60945397
(2S)-1-[(5-cyano-2-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94589040

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (CID 35380970) is (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is CN(Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCN1S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is KIPKDJFMXJOZFE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-18(10-12-8-11(9-17)5-6-13(12)16)15(20)14-4-3-7-19(14)23(2,21)22/h5-6,8,14H,3-4,7,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
(2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 35380970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).