N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide

C19H18N2O5S — CID 4156245

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C19H18N2O5S/c1-25-16-9-7-14(8-10-16)19(22)21-15-4-2-6-18(12-15)27(23,24)20-13-17-5-3-11-26-17/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyHBZICUMXNDTDSI-UHFFFAOYSA-N
MW386.43 g/mol
LogP3.02
Rot. Bonds7

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide (PubChem CID 4156245) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide
PubChem CID4156245
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1
InChIInChI=1S/C19H18N2O5S/c1-25-16-9-7-14(8-10-16)19(22)21-15-4-2-6-18(12-15)27(23,24)20-13-17-5-3-11-26-17/h2-12,20H,13H2,1H3,(H,21,22)
InChIKeyHBZICUMXNDTDSI-UHFFFAOYSA-N
XLogP3.02
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide (CID 4156245) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide?
The InChIKey is HBZICUMXNDTDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-25-16-9-7-14(8-10-16)19(22)21-15-4-2-6-18(12-15)27(23,24)20-13-17-5-3-11-26-17/h2-12,20H,13H2,1H3,(H,21,22).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide has a molecular weight of 386.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 4156245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).