1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

C19H25FN2O4S — CID 119037219

IUPAC1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F
InChIInChI=1S/C19H25FN2O4S/c1-21(2)19(24)17-8-5-11-22(17)18(23)15-12-14(9-10-16(15)20)27(25,26)13-6-3-4-7-13/h9-10,12-13,17H,3-8,11H2,1-2H3
InChIKeyNGBHDQPHQQHZFK-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 119037219) has the molecular formula C19H25FN2O4S and a molecular weight of 396.48 g/mol. Its IUPAC name is 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID119037219
Molecular FormulaC19H25FN2O4S
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F
InChIInChI=1S/C19H25FN2O4S/c1-21(2)19(24)17-8-5-11-22(17)18(23)15-12-14(9-10-16(15)20)27(25,26)13-6-3-4-7-13/h9-10,12-13,17H,3-8,11H2,1-2H3
InChIKeyNGBHDQPHQQHZFK-UHFFFAOYSA-N
XLogP2.23
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
5-cycloheptylsulfonyl-2-fluorobenzoic acid
CID 82928547
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126840807
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
1-(5-amino-2-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 54978967
1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136545609
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxamide
CID 62508896

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 119037219) is 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cc(S(=O)(=O)C2CCCC2)ccc1F.
What is the InChIKey of 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is NGBHDQPHQQHZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4S/c1-21(2)19(24)17-8-5-11-22(17)18(23)15-12-14(9-10-16(15)20)27(25,26)13-6-3-4-7-13/h9-10,12-13,17H,3-8,11H2,1-2H3.
What are the key properties of 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119037219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).