2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

C20H24N4O4S — CID 55780594

IUPAC2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C20H24N4O4S/c1-14(2)28-20-15(7-6-10-21-20)11-22-19(25)12-24-17-9-5-4-8-16(17)23-18(24)13-29(3,26)27/h4-10,14H,11-13H2,1-3H3,(H,22,25)
InChIKeyKEWZOEORBBFQFA-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.08
Rot. Bonds8

About 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide

2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (PubChem CID 55780594) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
PubChem CID55780594
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC Name2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
SMILESCC(C)Oc1ncccc1CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C20H24N4O4S/c1-14(2)28-20-15(7-6-10-21-20)11-22-19(25)12-24-17-9-5-4-8-16(17)23-18(24)13-29(3,26)27/h4-10,14H,11-13H2,1-3H3,(H,22,25)
InChIKeyKEWZOEORBBFQFA-UHFFFAOYSA-N
XLogP2.08
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34317292
N-[(3-bromophenyl)methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 52572499
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 25341834
N-[[(1S,2R)-2-methylcyclopropyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 39601951
2-(3-aminopyrazol-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 62113226
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55781110
2-(2-ethylbenzimidazol-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17417716
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 55973405
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
2-(butylsulfonylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 71906938

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide (CID 55780594) is 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is CC(C)Oc1ncccc1CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
The InChIKey is KEWZOEORBBFQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-14(2)28-20-15(7-6-10-21-20)11-22-19(25)12-24-17-9-5-4-8-16(17)23-18(24)13-29(3,26)27/h4-10,14H,11-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide?
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55780594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).