5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide

C23H26N2O6S2 — CID 26520481

IUPAC5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C23H26N2O6S2/c1-4-25(5-2)33(29,30)20-13-11-17(3)21(15-20)24-23(26)22-14-12-18(31-22)16-32(27,28)19-9-7-6-8-10-19/h6-15H,4-5,16H2,1-3H3,(H,24,26)
InChIKeyDGZXJSFWASJOOV-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.84
Rot. Bonds9

About 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide

5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 26520481) has the molecular formula C23H26N2O6S2 and a molecular weight of 490.60 g/mol. Its IUPAC name is 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
PubChem CID26520481
Molecular FormulaC23H26N2O6S2
Molecular Weight490.60 g/mol
Exact Mass490.12
IUPAC Name5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C23H26N2O6S2/c1-4-25(5-2)33(29,30)20-13-11-17(3)21(15-20)24-23(26)22-14-12-18(31-22)16-32(27,28)19-9-7-6-8-10-19/h6-15H,4-5,16H2,1-3H3,(H,24,26)
InChIKeyDGZXJSFWASJOOV-UHFFFAOYSA-N
XLogP3.84
TPSA113.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonylmethyl)-N-(5-fluoro-2-methylphenyl)furan-2-carboxamide
CID 26696587
5-(benzenesulfonylmethyl)-N-(2-methylphenyl)furan-2-carboxamide
CID 27167042
5-(benzenesulfonylmethyl)-N-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 26579656
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7928997
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
1-(benzenesulfonyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]cyclopentane-1-carboxamide
CID 24593032
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 7688966
5-(benzenesulfonylmethyl)-N-[3-(methoxymethyl)phenyl]furan-2-carboxamide
CID 32638148
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(2,3-dimethylpyridin-1-ium-1-yl)acetamide
CID 8827790
2-[benzenesulfonyl(ethyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2231731
5-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]furan-2-carboxamide
CID 24564244

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide (CID 26520481) is 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1.
What is the InChIKey of 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is DGZXJSFWASJOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S2/c1-4-25(5-2)33(29,30)20-13-11-17(3)21(15-20)24-23(26)22-14-12-18(31-22)16-32(27,28)19-9-7-6-8-10-19/h6-15H,4-5,16H2,1-3H3,(H,24,26).
What are the key properties of 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide?
5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonylmethyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 26520481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).