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

C22H24N2O4S — CID 1006998

IUPACN-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C22H24N2O4S/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/h1-9,11-12,16,24H,10,13-15,17H2,(H,23,25)
InChIKeyNZRBXNOUPDCKPQ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.05
Rot. Bonds10

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

N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 1006998) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID1006998
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C22H24N2O4S/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/h1-9,11-12,16,24H,10,13-15,17H2,(H,23,25)
InChIKeyNZRBXNOUPDCKPQ-UHFFFAOYSA-N
XLogP3.05
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 1006998) is N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is NZRBXNOUPDCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/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/h1-9,11-12,16,24H,10,13-15,17H2,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 412.51 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 1006998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).