N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C17H20N2O5S — CID 645494

IUPACN-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H20N2O5S/c20-17(18-11-14-3-1-9-23-14)13-5-7-16(8-6-13)25(21,22)19-12-15-4-2-10-24-15/h1,3,5-9,15,19H,2,4,10-12H2,(H,18,20)
InChIKeyMCSIIFVISAGUFS-UHFFFAOYSA-N
MW364.42 g/mol
LogP1.67
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 645494) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID645494
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H20N2O5S/c20-17(18-11-14-3-1-9-23-14)13-5-7-16(8-6-13)25(21,22)19-12-15-4-2-10-24-15/h1,3,5-9,15,19H,2,4,10-12H2,(H,18,20)
InChIKeyMCSIIFVISAGUFS-UHFFFAOYSA-N
XLogP1.67
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 645494) is N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NCc1ccco1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is MCSIIFVISAGUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c20-17(18-11-14-3-1-9-23-14)13-5-7-16(8-6-13)25(21,22)19-12-15-4-2-10-24-15/h1,3,5-9,15,19H,2,4,10-12H2,(H,18,20).
What are the key properties of N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 364.42 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 645494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).