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

C24H24N4O4S — CID 22552071

IUPACN-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H24N4O4S/c1-3-32-22-12-8-7-11-20(22)25-23(29)16-28(2)33(30,31)18-13-14-19-21(15-18)27-24(26-19)17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDJBQXXKJOAKWHY-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.89
Rot. Bonds8

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

N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide (PubChem CID 22552071) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
PubChem CID22552071
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C24H24N4O4S/c1-3-32-22-12-8-7-11-20(22)25-23(29)16-28(2)33(30,31)18-13-14-19-21(15-18)27-24(26-19)17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyDJBQXXKJOAKWHY-UHFFFAOYSA-N
XLogP3.89
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552086
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
CID 22551980
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 22552039
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 23936708
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
N-(2,5-diethoxyphenyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 6620236
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23773806
2-[N-(benzenesulfonyl)anilino]-N-(2-ethoxyphenyl)acetamide
CID 1095152
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932
N-(2-ethoxyphenyl)-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30259956
N-[(2-ethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 5136428

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide (CID 22552071) is N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide is CCOc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
The InChIKey is DJBQXXKJOAKWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-3-32-22-12-8-7-11-20(22)25-23(29)16-28(2)33(30,31)18-13-14-19-21(15-18)27-24(26-19)17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide?
N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide has a molecular weight of 464.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 22552071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).