N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide

C19H20N4O4S — CID 30889361

IUPACN-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H20N4O4S/c1-20-19(25)13-7-3-4-8-14(13)22-18(24)11-23-16-10-6-5-9-15(16)21-17(23)12-28(2,26)27/h3-10H,11-12H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyNLADOLYLMCRMHV-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.58
Rot. Bonds6

About N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide

N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide (PubChem CID 30889361) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
PubChem CID30889361
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H20N4O4S/c1-20-19(25)13-7-3-4-8-14(13)22-18(24)11-23-16-10-6-5-9-15(16)21-17(23)12-28(2,26)27/h3-10H,11-12H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyNLADOLYLMCRMHV-UHFFFAOYSA-N
XLogP1.58
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 35747603
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 112823807
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 78828079
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
2-[[2-(2-butylbenzimidazol-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 9107555
4-bromo-1-methyl-N'-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]pyrrole-2-carbohydrazide
CID 34479337
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide (CID 30889361) is N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide is CNC(=O)c1ccccc1NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The InChIKey is NLADOLYLMCRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-20-19(25)13-7-3-4-8-14(13)22-18(24)11-23-16-10-6-5-9-15(16)21-17(23)12-28(2,26)27/h3-10H,11-12H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide has a molecular weight of 400.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 30889361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).