N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

C27H36FN3O4S — CID 17223813

IUPACN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H36FN3O4S/c1-19(2)17-31(18-20(3)4)36(34,35)25-10-8-24(9-11-25)29-26(32)21-12-14-30(15-13-21)27(33)22-6-5-7-23(28)16-22/h5-11,16,19-21H,12-15,17-18H2,1-4H3,(H,29,32)
InChIKeyPBTLDKGCVMEQQR-UHFFFAOYSA-N
MW517.67 g/mol
LogP4.62
Rot. Bonds9

About N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (PubChem CID 17223813) has the molecular formula C27H36FN3O4S and a molecular weight of 517.67 g/mol. Its IUPAC name is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
PubChem CID17223813
Molecular FormulaC27H36FN3O4S
Molecular Weight517.67 g/mol
Exact Mass517.24
IUPAC NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H36FN3O4S/c1-19(2)17-31(18-20(3)4)36(34,35)25-10-8-24(9-11-25)29-26(32)21-12-14-30(15-13-21)27(33)22-6-5-7-23(28)16-22/h5-11,16,19-21H,12-15,17-18H2,1-4H3,(H,29,32)
InChIKeyPBTLDKGCVMEQQR-UHFFFAOYSA-N
XLogP4.62
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223755
1-(3-fluorobenzoyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 17223695
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223739
propyl 4-[[1-(3-fluorobenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 17223615
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(3-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223612
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[4-(butan-2-ylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223986
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide (CID 17223813) is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is PBTLDKGCVMEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O4S/c1-19(2)17-31(18-20(3)4)36(34,35)25-10-8-24(9-11-25)29-26(32)21-12-14-30(15-13-21)27(33)22-6-5-7-23(28)16-22/h5-11,16,19-21H,12-15,17-18H2,1-4H3,(H,29,32).
What are the key properties of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide?
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 517.67 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).