3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide

C21H22N2O4S — CID 1006947

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C21H22N2O4S/c24-21(22-16-19-7-4-14-27-19)13-10-17-8-11-20(12-9-17)28(25,26)23-15-18-5-2-1-3-6-18/h1-9,11-12,14,23H,10,13,15-16H2,(H,22,24)
InChIKeyIFWFCWFLKNJJHR-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.01
Rot. Bonds9

About 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide

3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 1006947) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID1006947
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C21H22N2O4S/c24-21(22-16-19-7-4-14-27-19)13-10-17-8-11-20(12-9-17)28(25,26)23-15-18-5-2-1-3-6-18/h1-9,11-12,14,23H,10,13,15-16H2,(H,22,24)
InChIKeyIFWFCWFLKNJJHR-UHFFFAOYSA-N
XLogP3.01
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide (CID 1006947) is 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide is O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCc1ccco1.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is IFWFCWFLKNJJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-21(22-16-19-7-4-14-27-19)13-10-17-8-11-20(12-9-17)28(25,26)23-15-18-5-2-1-3-6-18/h1-9,11-12,14,23H,10,13,15-16H2,(H,22,24).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 398.48 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 1006947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).