3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide

C22H22N4O4S — CID 60526245

IUPAC3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1
InChIInChI=1S/C22H22N4O4S/c1-3-26(4-2)31(28,29)17-8-5-7-15(13-17)22(27)23-16-10-11-18-19(14-16)25-21(24-18)20-9-6-12-30-20/h5-14H,3-4H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyVCTKUWLGMLNCKY-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.11
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide

3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 60526245) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
PubChem CID60526245
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1
InChIInChI=1S/C22H22N4O4S/c1-3-26(4-2)31(28,29)17-8-5-7-15(13-17)22(27)23-16-10-11-18-19(14-16)25-21(24-18)20-9-6-12-30-20/h5-14H,3-4H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyVCTKUWLGMLNCKY-UHFFFAOYSA-N
XLogP4.11
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2326018
4-ethyl-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]thiadiazole-5-carboxamide
CID 47067261
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
CID 167924073
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-6-methylpyridazine-4-carboxamide
CID 99790473
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 52692587
N-[4-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55863771
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
CID 60587312
4-fluoro-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-iodobenzamide
CID 55946378
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
2-(2-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 155963168

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide (CID 60526245) is 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is VCTKUWLGMLNCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-3-26(4-2)31(28,29)17-8-5-7-15(13-17)22(27)23-16-10-11-18-19(14-16)25-21(24-18)20-9-6-12-30-20/h5-14H,3-4H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide?
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 60526245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).