4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide

C24H26FN3O4S — CID 55709444

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
SMILESCN(CCCC(=O)NCc1cccc(OCc2ccccn2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c1-28(33(30,31)23-12-10-20(25)11-13-23)15-5-9-24(29)27-17-19-6-4-8-22(16-19)32-18-21-7-2-3-14-26-21/h2-4,6-8,10-14,16H,5,9,15,17-18H2,1H3,(H,27,29)
InChIKeyQUBVDRLMRGVEQF-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.52
Rot. Bonds11

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide (PubChem CID 55709444) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
PubChem CID55709444
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
SMILESCN(CCCC(=O)NCc1cccc(OCc2ccccn2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c1-28(33(30,31)23-12-10-20(25)11-13-23)15-5-9-24(29)27-17-19-6-4-8-22(16-19)32-18-21-7-2-3-14-26-21/h2-4,6-8,10-14,16H,5,9,15,17-18H2,1H3,(H,27,29)
InChIKeyQUBVDRLMRGVEQF-UHFFFAOYSA-N
XLogP3.52
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46477862
2,4-difluoro-N-[3-oxo-3-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 46470248
2-[benzenesulfonyl(methyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38667056
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 98796519
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-prop-2-enoxyphenyl)butanamide
CID 60574539
2-(2-chlorophenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46590568
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide (CID 55709444) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide is CN(CCCC(=O)NCc1cccc(OCc2ccccn2)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
The InChIKey is QUBVDRLMRGVEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-28(33(30,31)23-12-10-20(25)11-13-23)15-5-9-24(29)27-17-19-6-4-8-22(16-19)32-18-21-7-2-3-14-26-21/h2-4,6-8,10-14,16H,5,9,15,17-18H2,1H3,(H,27,29).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide has a molecular weight of 471.55 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 55709444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).