N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide

C17H26N2O4S — CID 653232

IUPACN-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-11-19-24(21,22)16-8-5-14(6-9-16)7-10-17(20)18-13-15-4-3-12-23-15/h5-6,8-9,15,19H,2-4,7,10-13H2,1H3,(H,18,20)
InChIKeyOIOPYFCJWKFUPC-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.60
Rot. Bonds9

About N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide

N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide (PubChem CID 653232) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
PubChem CID653232
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O4S/c1-2-11-19-24(21,22)16-8-5-14(6-9-16)7-10-17(20)18-13-15-4-3-12-23-15/h5-6,8-9,15,19H,2-4,7,10-13H2,1H3,(H,18,20)
InChIKeyOIOPYFCJWKFUPC-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide (CID 653232) is N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide is CCCNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The InChIKey is OIOPYFCJWKFUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-2-11-19-24(21,22)16-8-5-14(6-9-16)7-10-17(20)18-13-15-4-3-12-23-15/h5-6,8-9,15,19H,2-4,7,10-13H2,1H3,(H,18,20).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide has a molecular weight of 354.47 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 653232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).