N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C22H28FN3O3S — CID 46684557

IUPACN-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NC1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O3S/c1-25(30(28,29)21-11-9-19(23)10-12-21)14-5-8-22(27)24-20-13-15-26(17-20)16-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,24,27)
InChIKeyFECVNIBDEGGNOT-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.62
Rot. Bonds9

About N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 46684557) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID46684557
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCN(CCCC(=O)NC1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H28FN3O3S/c1-25(30(28,29)21-11-9-19(23)10-12-21)14-5-8-22(27)24-20-13-15-26(17-20)16-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,24,27)
InChIKeyFECVNIBDEGGNOT-UHFFFAOYSA-N
XLogP2.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide 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-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 119455910
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55961219
(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124783228
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide
CID 41013038
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 55517214
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
N-(1-benzylpyrrolidin-3-yl)-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 72852322
N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 97270800
N-(2-adamantyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 78798978

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 46684557) is N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is CN(CCCC(=O)NC1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is FECVNIBDEGGNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-25(30(28,29)21-11-9-19(23)10-12-21)14-5-8-22(27)24-20-13-15-26(17-20)16-18-6-3-2-4-7-18/h2-4,6-7,9-12,20H,5,8,13-17H2,1H3,(H,24,27).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 433.55 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 46684557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).