N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide

C16H23FN2O3S — CID 134044798

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-3-11-23(21,22)19-10-4-5-15(19)16(20)18(2)12-13-6-8-14(17)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyQHCYKTYPEAOJAI-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.99
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 134044798) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID134044798
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O3S/c1-3-11-23(21,22)19-10-4-5-15(19)16(20)18(2)12-13-6-8-14(17)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyQHCYKTYPEAOJAI-UHFFFAOYSA-N
XLogP1.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide
CID 55966830
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134040898
N-[(2-bromophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044708
N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 62335541
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429401
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61413418
3-[methyl-[(2R)-1-propylsulfonylpiperidine-2-carbonyl]amino]propanoic acid
CID 97098894
(2R)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922881
N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 18162229

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide (CID 134044798) is N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QHCYKTYPEAOJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-3-11-23(21,22)19-10-4-5-15(19)16(20)18(2)12-13-6-8-14(17)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134044798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).