N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

C25H33N3O4S — CID 20973149

IUPACN-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(CCC)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O4S/c1-3-5-19-6-12-23(13-7-19)33(31,32)27-22-10-8-21(9-11-22)25(30)28-17-14-20(15-18-28)24(29)26-16-4-2/h6-13,20,27H,3-5,14-18H2,1-2H3,(H,26,29)
InChIKeyDLCIZQJHGLDNKX-UHFFFAOYSA-N
MW471.62 g/mol
LogP3.82
Rot. Bonds9

About N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide

N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (PubChem CID 20973149) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
PubChem CID20973149
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC NameN-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(CCC)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O4S/c1-3-5-19-6-12-23(13-7-19)33(31,32)27-22-10-8-21(9-11-22)25(30)28-17-14-20(15-18-28)24(29)26-16-4-2/h6-13,20,27H,3-5,14-18H2,1-2H3,(H,26,29)
InChIKeyDLCIZQJHGLDNKX-UHFFFAOYSA-N
XLogP3.82
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146071605
(3R)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729225
1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 20973095
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
1-[4-[(4-acetamidophenyl)sulfonylamino]benzoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 20973047
1-(4-chlorobenzoyl)-N-[4-(propylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119366
1-[4-(benzenesulfonamido)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55410159
(3S)-N-butyl-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 92729196
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635
(2S)-1-[4-[(4-methoxyphenyl)sulfonylamino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 92730058
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide (CID 20973149) is N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is CCCNC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(CCC)cc3)cc2)CC1.
What is the InChIKey of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
The InChIKey is DLCIZQJHGLDNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-3-5-19-6-12-23(13-7-19)33(31,32)27-22-10-8-21(9-11-22)25(30)28-17-14-20(15-18-28)24(29)26-16-4-2/h6-13,20,27H,3-5,14-18H2,1-2H3,(H,26,29).
What are the key properties of N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide?
N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide has a molecular weight of 471.62 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-[(4-propylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 20973149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).