N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide

C21H26N2O5S — CID 651178

IUPACN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O5S/c1-2-20(28-17-7-4-3-5-8-17)21(24)23-16-10-12-19(13-11-16)29(25,26)22-15-18-9-6-14-27-18/h3-5,7-8,10-13,18,20,22H,2,6,9,14-15H2,1H3,(H,23,24)
InChIKeyJBWCCPPNZATTAP-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.94
Rot. Bonds9

About N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide

N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide (PubChem CID 651178) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide
PubChem CID651178
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C21H26N2O5S/c1-2-20(28-17-7-4-3-5-8-17)21(24)23-16-10-12-19(13-11-16)29(25,26)22-15-18-9-6-14-27-18/h3-5,7-8,10-13,18,20,22H,2,6,9,14-15H2,1H3,(H,23,24)
InChIKeyJBWCCPPNZATTAP-UHFFFAOYSA-N
XLogP2.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide?
The IUPAC name of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide (CID 651178) is N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide?
The InChIKey is JBWCCPPNZATTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-2-20(28-17-7-4-3-5-8-17)21(24)23-16-10-12-19(13-11-16)29(25,26)22-15-18-9-6-14-27-18/h3-5,7-8,10-13,18,20,22H,2,6,9,14-15H2,1H3,(H,23,24).
What are the key properties of N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide?
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide has a molecular weight of 418.52 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2-phenoxybutanamide is sourced from PubChem (CID 651178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).