N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide

C15H18N2O5S — CID 51297863

IUPACN-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H18N2O5S/c1-21-10-8-17-23(19,20)14-6-4-12(5-7-14)15(18)16-11-13-3-2-9-22-13/h2-7,9,17H,8,10-11H2,1H3,(H,16,18)
InChIKeyXDBNVBQGWXNMQW-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.13
Rot. Bonds8

About N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide

N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 51297863) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
PubChem CID51297863
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC NameN-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H18N2O5S/c1-21-10-8-17-23(19,20)14-6-4-12(5-7-14)15(18)16-11-13-3-2-9-22-13/h2-7,9,17H,8,10-11H2,1H3,(H,16,18)
InChIKeyXDBNVBQGWXNMQW-UHFFFAOYSA-N
XLogP1.13
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.13
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-(3-methoxypropylsulfamoyl)benzamide
CID 109059880
N-(furan-2-ylmethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063553
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
4-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045256
4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 1300203
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55518843
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-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
4-(furan-2-ylmethylsulfamoyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55976163
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-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide (CID 51297863) is N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is XDBNVBQGWXNMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-21-10-8-17-23(19,20)14-6-4-12(5-7-14)15(18)16-11-13-3-2-9-22-13/h2-7,9,17H,8,10-11H2,1H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide?
N-(furan-2-ylmethyl)-4-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 338.39 g/mol, XLogP of 1.13, 8 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-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 51297863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).