N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C24H30FN3O4S — CID 55959805

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H30FN3O4S/c25-20-7-3-18(4-8-20)17-28-13-11-21(12-14-28)27-24(29)19-5-9-23(10-6-19)33(30,31)26-16-22-2-1-15-32-22/h3-10,21-22,26H,1-2,11-17H2,(H,27,29)
InChIKeyAOAIJHAVGIOLBH-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.68
Rot. Bonds8

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55959805) has the molecular formula C24H30FN3O4S and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID55959805
Molecular FormulaC24H30FN3O4S
Molecular Weight475.59 g/mol
Exact Mass475.19
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C24H30FN3O4S/c25-20-7-3-18(4-8-20)17-28-13-11-21(12-14-28)27-24(29)19-5-9-23(10-6-19)33(30,31)26-16-22-2-1-15-32-22/h3-10,21-22,26H,1-2,11-17H2,(H,27,29)
InChIKeyAOAIJHAVGIOLBH-UHFFFAOYSA-N
XLogP2.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-[2-(4-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9392189
4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119450353
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43042178
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55959532
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 55959805) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is AOAIJHAVGIOLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4S/c25-20-7-3-18(4-8-20)17-28-13-11-21(12-14-28)27-24(29)19-5-9-23(10-6-19)33(30,31)26-16-22-2-1-15-32-22/h3-10,21-22,26H,1-2,11-17H2,(H,27,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 475.59 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55959805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).