N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C25H32FN3O4S — CID 17223755

IUPACN-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H32FN3O4S/c1-3-14-29(15-4-2)34(32,33)23-10-8-22(9-11-23)27-24(30)19-12-16-28(17-13-19)25(31)20-6-5-7-21(26)18-20/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,27,30)
InChIKeySUBKUCOOJIFMJM-UHFFFAOYSA-N
MW489.61 g/mol
LogP4.13
Rot. Bonds9

About N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17223755) has the molecular formula C25H32FN3O4S and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17223755
Molecular FormulaC25H32FN3O4S
Molecular Weight489.61 g/mol
Exact Mass489.21
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H32FN3O4S/c1-3-14-29(15-4-2)34(32,33)23-10-8-22(9-11-23)27-24(30)19-12-16-28(17-13-19)25(31)20-6-5-7-21(26)18-20/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,27,30)
InChIKeySUBKUCOOJIFMJM-UHFFFAOYSA-N
XLogP4.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223813
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223739
N-[4-(dipropylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081719
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 17223615
1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223474
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 17223755) is N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is SUBKUCOOJIFMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O4S/c1-3-14-29(15-4-2)34(32,33)23-10-8-22(9-11-23)27-24(30)19-12-16-28(17-13-19)25(31)20-6-5-7-21(26)18-20/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 489.61 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).