N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide

C14H17N3O3S — CID 82558127

IUPACN-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide
SMILESCNC(=O)Cn1ccnc1Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H17N3O3S/c1-15-14(18)10-17-8-7-16-13(17)9-11-5-3-4-6-12(11)21(2,19)20/h3-8H,9-10H2,1-2H3,(H,15,18)
InChIKeyHLQHIWMEAATRPT-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.62
Rot. Bonds5

About N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide

N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide (PubChem CID 82558127) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide
PubChem CID82558127
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide
SMILESCNC(=O)Cn1ccnc1Cc1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H17N3O3S/c1-15-14(18)10-17-8-7-16-13(17)9-11-5-3-4-6-12(11)21(2,19)20/h3-8H,9-10H2,1-2H3,(H,15,18)
InChIKeyHLQHIWMEAATRPT-UHFFFAOYSA-N
XLogP0.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]propan-1-amine
CID 82558131
N-methyl-2-(2-methylsulfonylphenyl)acetamide
CID 110487093
2-[2-[[4-(dimethylamino)phenyl]methyl]imidazol-1-yl]-N-methylacetamide
CID 82558377
3-[[1-[(2-methylsulfonylphenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558722
2-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560014
2-[2-[(2-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558769
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylacetamide
CID 82558055
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
1-(3-amino-1,2,4-triazol-1-yl)-2-(2-methylsulfonylphenyl)ethanone
CID 110487094
2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]acetic acid
CID 82560307
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
N-methyl-2-[2-(4-pyridin-2-ylphenyl)imidazol-1-yl]acetamide
CID 82559650

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide (CID 82558127) is N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide is CNC(=O)Cn1ccnc1Cc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide?
The InChIKey is HLQHIWMEAATRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-14(18)10-17-8-7-16-13(17)9-11-5-3-4-6-12(11)21(2,19)20/h3-8H,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide?
N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(2-methylsulfonylphenyl)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 82558127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).