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

C22H28N2O4S — CID 2955371

IUPACN-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCC1CCCO1
InChIInChI=1S/C22H28N2O4S/c25-22(23-17-20-7-4-16-28-20)13-10-19-8-11-21(12-9-19)29(26,27)24-15-14-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20,24H,4,7,10,13-17H2,(H,23,25)
InChIKeyBITWOKVECJHTEJ-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.44
Rot. Bonds10

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

N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 2955371) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID2955371
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCC1CCCO1
InChIInChI=1S/C22H28N2O4S/c25-22(23-17-20-7-4-16-28-20)13-10-19-8-11-21(12-9-19)29(26,27)24-15-14-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20,24H,4,7,10,13-17H2,(H,23,25)
InChIKeyBITWOKVECJHTEJ-UHFFFAOYSA-N
XLogP2.44
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.44
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-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 2955371) is N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is BITWOKVECJHTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c25-22(23-17-20-7-4-16-28-20)13-10-19-8-11-21(12-9-19)29(26,27)24-15-14-18-5-2-1-3-6-18/h1-3,5-6,8-9,11-12,20,24H,4,7,10,13-17H2,(H,23,25).
What are the key properties of N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-(oxolan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 416.54 g/mol, XLogP of 2.44, 10 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-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 2955371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).