N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide

C24H30FN3O4S — CID 55706392

IUPACN-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C24H30FN3O4S/c1-17(2)27-33(31,32)20-9-10-22(25)21(16-20)24(30)28-14-12-19(13-15-28)26-23(29)11-8-18-6-4-3-5-7-18/h3-7,9-10,16-17,19,27H,8,11-15H2,1-2H3,(H,26,29)
InChIKeyWNYFZUWDYMHAQT-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.87
Rot. Bonds8

About N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55706392) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55706392
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC NameN-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1
InChIInChI=1S/C24H30FN3O4S/c1-17(2)27-33(31,32)20-9-10-22(25)21(16-20)24(30)28-14-12-19(13-15-28)26-23(29)11-8-18-6-4-3-5-7-18/h3-7,9-10,16-17,19,27H,8,11-15H2,1-2H3,(H,26,29)
InChIKeyWNYFZUWDYMHAQT-UHFFFAOYSA-N
XLogP2.87
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
CID 55965713
N-[1-(6-chloro-2-methylquinoline-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455742
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108560102
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 47056458
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
3-phenyl-N-[1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carbonyl]piperidin-4-yl]propanamide
CID 47056405

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide (CID 55706392) is N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is WNYFZUWDYMHAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c1-17(2)27-33(31,32)20-9-10-22(25)21(16-20)24(30)28-14-12-19(13-15-28)26-23(29)11-8-18-6-4-3-5-7-18/h3-7,9-10,16-17,19,27H,8,11-15H2,1-2H3,(H,26,29).
What are the key properties of N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 475.59 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-5-(propan-2-ylsulfamoyl)benzoyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55706392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).