N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide

C27H30N4O3S — CID 44529763

IUPACN-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide
SMILESCCc1ccc(-n2c(NC(=O)c3ccccc3)nc3ccc(S(=O)(=O)NC(C)C(C)C)cc32)cc1
InChIInChI=1S/C27H30N4O3S/c1-5-20-11-13-22(14-12-20)31-25-17-23(35(33,34)30-19(4)18(2)3)15-16-24(25)28-27(31)29-26(32)21-9-7-6-8-10-21/h6-19,30H,5H2,1-4H3,(H,28,29,32)
InChIKeyYSZOSPHPQXAYQE-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.16
Rot. Bonds8

About N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide

N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide (PubChem CID 44529763) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide
PubChem CID44529763
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide
SMILESCCc1ccc(-n2c(NC(=O)c3ccccc3)nc3ccc(S(=O)(=O)NC(C)C(C)C)cc32)cc1
InChIInChI=1S/C27H30N4O3S/c1-5-20-11-13-22(14-12-20)31-25-17-23(35(33,34)30-19(4)18(2)3)15-16-24(25)28-27(31)29-26(32)21-9-7-6-8-10-21/h6-19,30H,5H2,1-4H3,(H,28,29,32)
InChIKeyYSZOSPHPQXAYQE-UHFFFAOYSA-N
XLogP5.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide?
The IUPAC name of N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide (CID 44529763) is N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide is CCc1ccc(-n2c(NC(=O)c3ccccc3)nc3ccc(S(=O)(=O)NC(C)C(C)C)cc32)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide?
The InChIKey is YSZOSPHPQXAYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-5-20-11-13-22(14-12-20)31-25-17-23(35(33,34)30-19(4)18(2)3)15-16-24(25)28-27(31)29-26(32)21-9-7-6-8-10-21/h6-19,30H,5H2,1-4H3,(H,28,29,32).
What are the key properties of N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide?
N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide has a molecular weight of 490.63 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-6-(3-methylbutan-2-ylsulfamoyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 44529763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).