5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

C21H32FN3O4S — CID 126479356

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NCCCN3CCOCC3)c2)C1
InChIInChI=1S/C21H32FN3O4S/c1-16-12-17(2)15-25(14-16)30(27,28)18-4-5-20(22)19(13-18)21(26)23-6-3-7-24-8-10-29-11-9-24/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,23,26)
InChIKeyKEJLCPJZJSZTIF-UHFFFAOYSA-N
MW441.57 g/mol
LogP1.94
Rot. Bonds7

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 126479356) has the molecular formula C21H32FN3O4S and a molecular weight of 441.57 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID126479356
Molecular FormulaC21H32FN3O4S
Molecular Weight441.57 g/mol
Exact Mass441.21
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NCCCN3CCOCC3)c2)C1
InChIInChI=1S/C21H32FN3O4S/c1-16-12-17(2)15-25(14-16)30(27,28)18-4-5-20(22)19(13-18)21(26)23-6-3-7-24-8-10-29-11-9-24/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,23,26)
InChIKeyKEJLCPJZJSZTIF-UHFFFAOYSA-N
XLogP1.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)sulfanyl-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 92907011
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
N-cycloheptyl-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluorobenzamide
CID 4621990
4-(4-methylpiperidin-1-yl)sulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 8884155
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742045
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
5-(2,3-dihydroindol-1-ylsulfonyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 4564323
2-methyl-5-(methylsulfamoyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 55527296
2-fluoro-N-pentyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 4300054
N-(2-amino-2-oxoethyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9295127

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (CID 126479356) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is CC1CC(C)CN(S(=O)(=O)c2ccc(F)c(C(=O)NCCCN3CCOCC3)c2)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is KEJLCPJZJSZTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O4S/c1-16-12-17(2)15-25(14-16)30(27,28)18-4-5-20(22)19(13-18)21(26)23-6-3-7-24-8-10-29-11-9-24/h4-5,13,16-17H,3,6-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 441.57 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 126479356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).