N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide

C16H20N2O5S — CID 109059880

IUPACN-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O5S/c1-22-10-3-9-18-24(20,21)15-7-5-13(6-8-15)16(19)17-12-14-4-2-11-23-14/h2,4-8,11,18H,3,9-10,12H2,1H3,(H,17,19)
InChIKeyGVBATZJZBHMEIS-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.52
Rot. Bonds9

About N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide

N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide (PubChem CID 109059880) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
PubChem CID109059880
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide
SMILESCOCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H20N2O5S/c1-22-10-3-9-18-24(20,21)15-7-5-13(6-8-15)16(19)17-12-14-4-2-11-23-14/h2,4-8,11,18H,3,9-10,12H2,1H3,(H,17,19)
InChIKeyGVBATZJZBHMEIS-UHFFFAOYSA-N
XLogP1.52
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 51297863
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-(furan-2-ylmethyl)-4-sulfamoylbenzamide
CID 10356308
4-[(2-fluorophenyl)methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060490
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
4-(furan-2-ylmethylsulfamoyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55868652

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide (CID 109059880) is N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide is COCCCNS(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide?
The InChIKey is GVBATZJZBHMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-22-10-3-9-18-24(20,21)15-7-5-13(6-8-15)16(19)17-12-14-4-2-11-23-14/h2,4-8,11,18H,3,9-10,12H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide?
N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide has a molecular weight of 352.41 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3-methoxypropylsulfamoyl)benzamide is sourced from PubChem (CID 109059880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).