N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide

C21H29N3O4S — CID 126470838

IUPACN-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCC(CNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H29N3O4S/c1-3-24(4-2)29(26,27)19-9-7-18(8-10-19)23-13-11-17(12-14-23)16-22-21(25)20-6-5-15-28-20/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,22,25)
InChIKeyKLRQJRZYQFWGRL-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.96
Rot. Bonds8

About N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide

N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide (PubChem CID 126470838) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide
PubChem CID126470838
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCC(CNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C21H29N3O4S/c1-3-24(4-2)29(26,27)19-9-7-18(8-10-19)23-13-11-17(12-14-23)16-22-21(25)20-6-5-15-28-20/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,22,25)
InChIKeyKLRQJRZYQFWGRL-UHFFFAOYSA-N
XLogP2.96
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide (CID 126470838) is N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CCC(CNC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide?
The InChIKey is KLRQJRZYQFWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-3-24(4-2)29(26,27)19-9-7-18(8-10-19)23-13-11-17(12-14-23)16-22-21(25)20-6-5-15-28-20/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide?
N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(diethylsulfamoyl)phenyl]piperidin-4-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 126470838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).