N-methyl-5-methylsulfonylfuran-2-carboxamide

C7H9NO4S — CID 126970956

IUPACN-methyl-5-methylsulfonylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C7H9NO4S/c1-8-7(9)5-3-4-6(12-5)13(2,10)11/h3-4H,1-2H3,(H,8,9)
InChIKeySEUACFVEGHEHQN-UHFFFAOYSA-N
MW203.22 g/mol
LogP0.04
Rot. Bonds2

About N-methyl-5-methylsulfonylfuran-2-carboxamide

N-methyl-5-methylsulfonylfuran-2-carboxamide (PubChem CID 126970956) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is N-methyl-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-methylsulfonylfuran-2-carboxamide
PubChem CID126970956
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC NameN-methyl-5-methylsulfonylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(S(C)(=O)=O)o1
InChIInChI=1S/C7H9NO4S/c1-8-7(9)5-3-4-6(12-5)13(2,10)11/h3-4H,1-2H3,(H,8,9)
InChIKeySEUACFVEGHEHQN-UHFFFAOYSA-N
XLogP0.04
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butylsulfonyl-N-methylfuran-2-carboxamide
CID 167085861
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
5-(3-bromopropylsulfonimidoyl)-N-methylfuran-2-carboxamide
CID 167085994
N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide
CID 167081500
N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide
CID 86944148
N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944389
N-[4-fluoro-2-(4-fluorophenyl)phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 166204401
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
2-methyl-2-[4-[(5-methylsulfonylfuran-2-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696515
5-tert-butyl-N-methylfuran-2-carboxamide
CID 59304326
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46461599

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-methyl-5-methylsulfonylfuran-2-carboxamide (CID 126970956) is N-methyl-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-methyl-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-methyl-5-methylsulfonylfuran-2-carboxamide is CNC(=O)c1ccc(S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is SEUACFVEGHEHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S/c1-8-7(9)5-3-4-6(12-5)13(2,10)11/h3-4H,1-2H3,(H,8,9).
What are the key properties of N-methyl-5-methylsulfonylfuran-2-carboxamide?
N-methyl-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 203.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 126970956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).