4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

C12H18N2O6S — CID 43578473

IUPAC4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCCN(CC(=O)NC)S(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C12H18N2O6S/c1-5-14(6-9(15)13-4)21(18,19)11-8(3)20-7(2)10(11)12(16)17/h5-6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyNQWDYWNDEHDKEN-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.35
Rot. Bonds6

About 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid

4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (PubChem CID 43578473) has the molecular formula C12H18N2O6S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
PubChem CID43578473
Molecular FormulaC12H18N2O6S
Molecular Weight318.35 g/mol
Exact Mass318.09
IUPAC Name4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
SMILESCCN(CC(=O)NC)S(=O)(=O)c1c(C)oc(C)c1C(=O)O
InChIInChI=1S/C12H18N2O6S/c1-5-14(6-9(15)13-4)21(18,19)11-8(3)20-7(2)10(11)12(16)17/h5-6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyNQWDYWNDEHDKEN-UHFFFAOYSA-N
XLogP0.35
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(2-methylpropyl)sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid
CID 43273615
4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 81428228
2,5-dimethyl-4-[methyl(2-methylbutan-2-yl)sulfamoyl]furan-3-carboxylic acid
CID 63983632
2-[(4-amino-2,6-dimethylphenyl)sulfonyl-ethylamino]-N-methylacetamide
CID 79589101
3-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2-methylbenzoic acid
CID 63742983
2-[ethyl-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 47090018
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
4-(2-hydroxypropylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 43499054
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 45372284
2-[ethyl-[3-(methylsulfamoyl)phenyl]sulfonylamino]-N-methylacetamide
CID 49240452
4-(dicyclopropylmethylsulfamoyl)-2,5-dimethylfuran-3-carboxylic acid
CID 61482264
2-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-3,6-dimethylbenzoic acid
CID 103428848

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid (CID 43578473) is 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is CCN(CC(=O)NC)S(=O)(=O)c1c(C)oc(C)c1C(=O)O.
What is the InChIKey of 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
The InChIKey is NQWDYWNDEHDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O6S/c1-5-14(6-9(15)13-4)21(18,19)11-8(3)20-7(2)10(11)12(16)17/h5-6H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid?
4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid has a molecular weight of 318.35 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylic acid is sourced from PubChem (CID 43578473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).