N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide

C24H24N4O3S — CID 167924073

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H24N4O3S/c1-3-28(4-2)32(30,31)18-11-9-10-17(16-18)24(29)27-20-13-6-5-12-19(20)23-25-21-14-7-8-15-22(21)26-23/h5-16H,3-4H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyRASPYWFMBCQXDG-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.51
Rot. Bonds7

About N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 167924073) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
PubChem CID167924073
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H24N4O3S/c1-3-28(4-2)32(30,31)18-11-9-10-17(16-18)24(29)27-20-13-6-5-12-19(20)23-25-21-14-7-8-15-22(21)26-23/h5-16H,3-4H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyRASPYWFMBCQXDG-UHFFFAOYSA-N
XLogP4.51
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 5168409
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
3-(diethylsulfamoyl)-N-(2-hydroxyphenyl)benzamide
CID 793744
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
3-(diethylsulfamoyl)-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]benzamide
CID 60526245
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(difluoromethoxy)benzamide
CID 5159784
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
N-(1H-benzimidazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2583610
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 8911034

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide (CID 167924073) is N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is RASPYWFMBCQXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-3-28(4-2)32(30,31)18-11-9-10-17(16-18)24(29)27-20-13-6-5-12-19(20)23-25-21-14-7-8-15-22(21)26-23/h5-16H,3-4H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 448.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 167924073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).