2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide

C25H26N4O3S — CID 22552039

IUPAC2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C25H26N4O3S/c1-17(2)18-9-11-20(12-10-18)26-24(30)16-29(3)33(31,32)21-13-14-22-23(15-21)28-25(27-22)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyZHDDFBLYJUAMKG-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.61
Rot. Bonds7

About 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide

2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 22552039) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID22552039
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C25H26N4O3S/c1-17(2)18-9-11-20(12-10-18)26-24(30)16-29(3)33(31,32)21-13-14-22-23(15-21)28-25(27-22)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyZHDDFBLYJUAMKG-UHFFFAOYSA-N
XLogP4.61
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
CID 22551980
N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552071
N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552086
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 23936708
N-(4-chlorophenyl)-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]propanamide
CID 46273821
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 23831376
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
1-(2-phenyl-3H-benzimidazol-5-yl)-3-propan-2-ylurea
CID 110776332

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide (CID 22552039) is 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1.
What is the InChIKey of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ZHDDFBLYJUAMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-17(2)18-9-11-20(12-10-18)26-24(30)16-29(3)33(31,32)21-13-14-22-23(15-21)28-25(27-22)19-7-5-4-6-8-19/h4-15,17H,16H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 462.58 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 22552039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).