2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

C23H23N3O3S — CID 25341834

IUPAC2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C23H23N3O3S/c1-16(18-11-7-9-17-8-3-4-10-19(17)18)24-23(27)14-26-21-13-6-5-12-20(21)25-22(26)15-30(2,28)29/h3-13,16H,14-15H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyORTFORAZJUPNLT-MRXNPFEDSA-N
MW421.52 g/mol
LogP3.61
Rot. Bonds6

About 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide

2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (PubChem CID 25341834) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
PubChem CID25341834
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
SMILESC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc2ccccc12
InChIInChI=1S/C23H23N3O3S/c1-16(18-11-7-9-17-8-3-4-10-19(17)18)24-23(27)14-26-21-13-6-5-12-20(21)25-22(26)15-30(2,28)29/h3-13,16H,14-15H2,1-2H3,(H,24,27)/t16-/m1/s1
InChIKeyORTFORAZJUPNLT-MRXNPFEDSA-N
XLogP3.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
N-(2-amino-1-cyclohexylethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 119591544
N-(3-bromophenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 25334769
N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
N-[2-(2-chlorophenyl)-1-phenylethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 60600055
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-(1-methylpyrazol-3-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 35747603
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55780594
N-methyl-2-[[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 30889361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide (CID 25341834) is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide.
What is the SMILES notation for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The canonical SMILES for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)c1cccc2ccccc12.
What is the InChIKey of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
The InChIKey is ORTFORAZJUPNLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16(18-11-7-9-17-8-3-4-10-19(17)18)24-23(27)14-26-21-13-6-5-12-20(21)25-22(26)15-30(2,28)29/h3-13,16H,14-15H2,1-2H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide?
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide is sourced from PubChem (CID 25341834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).