4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide

C23H26FN5O3S — CID 16602917

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
SMILESCN(CCCC(=O)Nc1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O3S/c1-28(33(31,32)18-12-10-17(24)11-13-18)14-6-9-21(30)27-22-23(29-15-4-5-16-29)26-20-8-3-2-7-19(20)25-22/h2-3,7-8,10-13H,4-6,9,14-16H2,1H3,(H,25,27,30)
InChIKeyFMLDXGUWPQWTQY-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.41
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide (PubChem CID 16602917) has the molecular formula C23H26FN5O3S and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
PubChem CID16602917
Molecular FormulaC23H26FN5O3S
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
SMILESCN(CCCC(=O)Nc1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O3S/c1-28(33(31,32)18-12-10-17(24)11-13-18)14-6-9-21(30)27-22-23(29-15-4-5-16-29)26-20-8-3-2-7-19(20)25-22/h2-3,7-8,10-13H,4-6,9,14-16H2,1H3,(H,25,27,30)
InChIKeyFMLDXGUWPQWTQY-UHFFFAOYSA-N
XLogP3.41
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)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

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948870
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24599956
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
CID 17446943
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 55483862
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 60551837
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide (CID 16602917) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide is CN(CCCC(=O)Nc1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
The InChIKey is FMLDXGUWPQWTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3S/c1-28(33(31,32)18-12-10-17(24)11-13-18)14-6-9-21(30)27-22-23(29-15-4-5-16-29)26-20-8-3-2-7-19(20)25-22/h2-3,7-8,10-13H,4-6,9,14-16H2,1H3,(H,25,27,30).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide has a molecular weight of 471.56 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide is sourced from PubChem (CID 16602917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).