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

C18H28N2O4S — CID 2950846

IUPAC3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)12-20-25(22,23)17-8-5-15(6-9-17)7-10-18(21)19-13-16-4-3-11-24-16/h5-6,8-9,14,16,20H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyFWQSEPQLEIKUBB-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.85
Rot. Bonds9

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

3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2950846) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2950846
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C18H28N2O4S/c1-14(2)12-20-25(22,23)17-8-5-15(6-9-17)7-10-18(21)19-13-16-4-3-11-24-16/h5-6,8-9,14,16,20H,3-4,7,10-13H2,1-2H3,(H,19,21)
InChIKeyFWQSEPQLEIKUBB-UHFFFAOYSA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide (CID 2950846) is 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is FWQSEPQLEIKUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)12-20-25(22,23)17-8-5-15(6-9-17)7-10-18(21)19-13-16-4-3-11-24-16/h5-6,8-9,14,16,20H,3-4,7,10-13H2,1-2H3,(H,19,21).
What are the key properties of 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide?
3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 368.50 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropylsulfamoyl)phenyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2950846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).