N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide

C12H15N3O4S — CID 71984561

IUPACN-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide
SMILESCN(Cc1ccco1)C(=O)Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C12H15N3O4S/c1-14(8-10-4-3-7-19-10)11(16)9-15-6-5-13-12(15)20(2,17)18/h3-7H,8-9H2,1-2H3
InChIKeyBMOVTNKWWVYLHM-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.54
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide

N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide (PubChem CID 71984561) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide
PubChem CID71984561
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide
SMILESCN(Cc1ccco1)C(=O)Cn1ccnc1S(C)(=O)=O
InChIInChI=1S/C12H15N3O4S/c1-14(8-10-4-3-7-19-10)11(16)9-15-6-5-13-12(15)20(2,17)18/h3-7H,8-9H2,1-2H3
InChIKeyBMOVTNKWWVYLHM-UHFFFAOYSA-N
XLogP0.54
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43300561
2-[4-(aminomethyl)triazol-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 62054820
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
N-(furan-2-ylmethyl)-N-methyl-2-[3-[(2-methyl-3-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
CID 154801261
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 47023476
5-(aminomethyl)-1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 103121730
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 128982821
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methylacetamide
CID 62402252
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66219613

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide (CID 71984561) is N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide is CN(Cc1ccco1)C(=O)Cn1ccnc1S(C)(=O)=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
The InChIKey is BMOVTNKWWVYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-14(8-10-4-3-7-19-10)11(16)9-15-6-5-13-12(15)20(2,17)18/h3-7H,8-9H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide?
N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide has a molecular weight of 297.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-(2-methylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 71984561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).