N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide

C22H27FN2O3S — CID 137461431

IUPACN-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(Cc1cccc(-c2ccccc2)c1F)C(=O)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C22H27FN2O3S/c1-22(2,21(26)25-13-12-18(15-25)24-29(3,27)28)14-17-10-7-11-19(20(17)23)16-8-5-4-6-9-16/h4-11,18,24H,12-15H2,1-3H3
InChIKeyBGUVOIWLLCCELX-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.21
Rot. Bonds6

About N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide

N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 137461431) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID137461431
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC NameN-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)(Cc1cccc(-c2ccccc2)c1F)C(=O)N1CCC(NS(C)(=O)=O)C1
InChIInChI=1S/C22H27FN2O3S/c1-22(2,21(26)25-13-12-18(15-25)24-29(3,27)28)14-17-10-7-11-19(20(17)23)16-8-5-4-6-9-16/h4-11,18,24H,12-15H2,1-3H3
InChIKeyBGUVOIWLLCCELX-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide 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

Firazorexton
CID 137460733
2-(3,5-bis(trifluoromethyl)phenyl)-N-((3R,4S)-4-(4-fluorophenyl)pyrrolidin-3-yl)-N,2-dimethylpropanamide
CID 52946919
2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 11270347
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)benzenesulfonamide
CID 11362130
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)methanesulfonamide
CID 45268436
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-1,1,1-trifluoromethanesulfonamide
CID 45269275
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-fluorobenzenesulfonamide
CID 45269976
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2-fluorobenzenesulfonamide
CID 45270806
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-3-fluorobenzenesulfonamide
CID 45273390
2-[3-(Methanesulfonylamino-methyl)-phenyl]-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 44399674
N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 45272682
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-3,3-dimethylbutyl)-N-isopropylmethanesulfonamide
CID 49862478

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide (CID 137461431) is N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide is CC(C)(Cc1cccc(-c2ccccc2)c1F)C(=O)N1CCC(NS(C)(=O)=O)C1.
What is the InChIKey of N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BGUVOIWLLCCELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c1-22(2,21(26)25-13-12-18(15-25)24-29(3,27)28)14-17-10-7-11-19(20(17)23)16-8-5-4-6-9-16/h4-11,18,24H,12-15H2,1-3H3.
What are the key properties of N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 418.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-fluoro-3-phenylphenyl)-2,2-dimethylpropanoyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 137461431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).