1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide

C18H27N3O4S — CID 1090447

IUPAC1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-13(2)20-26(24,25)16-6-3-14(4-7-16)5-8-17(22)21-11-9-15(10-12-21)18(19)23/h3-4,6-7,13,15,20H,5,8-12H2,1-2H3,(H2,19,23)
InChIKeyJYIZFHJLKVGCNE-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.03
Rot. Bonds7

About 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide

1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide (PubChem CID 1090447) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
PubChem CID1090447
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C18H27N3O4S/c1-13(2)20-26(24,25)16-6-3-14(4-7-16)5-8-17(22)21-11-9-15(10-12-21)18(19)23/h3-4,6-7,13,15,20H,5,8-12H2,1-2H3,(H2,19,23)
InChIKeyJYIZFHJLKVGCNE-UHFFFAOYSA-N
XLogP1.03
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide (CID 1090447) is 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide is CC(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is JYIZFHJLKVGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-13(2)20-26(24,25)16-6-3-14(4-7-16)5-8-17(22)21-11-9-15(10-12-21)18(19)23/h3-4,6-7,13,15,20H,5,8-12H2,1-2H3,(H2,19,23).
What are the key properties of 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide?
1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(propan-2-ylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 1090447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).