N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C24H24N4O3S — CID 44993117

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H24N4O3S/c1-16(2)28(3)32(30,31)20-13-11-17(12-14-20)24(29)25-19-8-6-7-18(15-19)23-26-21-9-4-5-10-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)
InChIKeyCGWXXPUQTPLFKC-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.51
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 44993117) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID44993117
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H24N4O3S/c1-16(2)28(3)32(30,31)20-13-11-17(12-14-20)24(29)25-19-8-6-7-18(15-19)23-26-21-9-4-5-10-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27)
InChIKeyCGWXXPUQTPLFKC-UHFFFAOYSA-N
XLogP4.51
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 44993117) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is CGWXXPUQTPLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-16(2)28(3)32(30,31)20-13-11-17(12-14-20)24(29)25-19-8-6-7-18(15-19)23-26-21-9-4-5-10-22(21)27-23/h4-16H,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 448.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 44993117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).