4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide

C21H26FN3O4S — CID 17446943

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O4S/c1-24(30(27,28)18-10-8-17(22)9-11-18)12-4-7-21(26)23-19-5-2-3-6-20(19)25-13-15-29-16-14-25/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,23,26)
InChIKeySHPWXKATUQQYOS-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.70
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide (PubChem CID 17446943) has the molecular formula C21H26FN3O4S and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
PubChem CID17446943
Molecular FormulaC21H26FN3O4S
Molecular Weight435.52 g/mol
Exact Mass435.16
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCN(CCCC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O4S/c1-24(30(27,28)18-10-8-17(22)9-11-18)12-4-7-21(26)23-19-5-2-3-6-20(19)25-13-15-29-16-14-25/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,23,26)
InChIKeySHPWXKATUQQYOS-UHFFFAOYSA-N
XLogP2.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2112970
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 16572198
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
N-(5-fluoro-2-methylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30855362
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
N-(2-chloro-4-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30854882
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)butanamide
CID 16602917
3-(N-acetyl-2-fluoroanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 113126781
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
3-(4-fluorophenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110356139
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide (CID 17446943) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide is CN(CCCC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide?
The InChIKey is SHPWXKATUQQYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4S/c1-24(30(27,28)18-10-8-17(22)9-11-18)12-4-7-21(26)23-19-5-2-3-6-20(19)25-13-15-29-16-14-25/h2-3,5-6,8-11H,4,7,12-16H2,1H3,(H,23,26).
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)butanamide has a molecular weight of 435.52 g/mol, XLogP of 2.70, 8 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-(2-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 17446943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).