methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate

C16H16N2O5S — CID 108781678

IUPACmethyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C)cc2C)c1C#N
InChIInChI=1S/C16H16N2O5S/c1-9-5-6-13(10(2)7-9)24(20,21)18-15-12(8-17)14(11(3)23-15)16(19)22-4/h5-7,18H,1-4H3
InChIKeyWBFZJUPOHUMWAV-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.66
Rot. Bonds4

About methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate

methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate (PubChem CID 108781678) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate
PubChem CID108781678
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C)cc2C)c1C#N
InChIInChI=1S/C16H16N2O5S/c1-9-5-6-13(10(2)7-9)24(20,21)18-15-12(8-17)14(11(3)23-15)16(19)22-4/h5-7,18H,1-4H3
InChIKeyWBFZJUPOHUMWAV-UHFFFAOYSA-N
XLogP2.66
TPSA109.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
CID 108781671
methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
CID 108781661
methyl 5-acetamido-4-cyano-2-methylfuran-3-carboxylate
CID 108733946
methyl 4-cyano-2-methyl-5-[(6-methylpyridazin-3-yl)amino]furan-3-carboxylate
CID 108774291
methyl 4-cyano-2-methyl-5-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]furan-3-carboxylate
CID 108757311
methyl 4-cyano-2-methyl-5-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]furan-3-carboxylate
CID 108733987
methyl 4-cyano-5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-2-methylfuran-3-carboxylate
CID 108781667
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
methyl 5-(2-chloropropanoylamino)-4-cyano-2-methylfuran-3-carboxylate
CID 108733953
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
N-(4-acetyl-3-cyano-5-methylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 108782793
methyl 4-cyano-2-methyl-5-(3-methylbutanoylamino)furan-3-carboxylate
CID 108757238

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate (CID 108781678) is methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(C)cc2C)c1C#N.
What is the InChIKey of methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate?
The InChIKey is WBFZJUPOHUMWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9-5-6-13(10(2)7-9)24(20,21)18-15-12(8-17)14(11(3)23-15)16(19)22-4/h5-7,18H,1-4H3.
What are the key properties of methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate?
methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-5-[(2,4-dimethylphenyl)sulfonylamino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108781678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).