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

C16H15N3O6S — CID 108781661

IUPACmethyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N
InChIInChI=1S/C16H15N3O6S/c1-9-14(16(21)24-3)13(8-17)15(25-9)19-26(22,23)12-6-4-11(5-7-12)18-10(2)20/h4-7,19H,1-3H3,(H,18,20)
InChIKeySXUVDDAABWYZBS-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.01
Rot. Bonds5

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

methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate (PubChem CID 108781661) has the molecular formula C16H15N3O6S and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
PubChem CID108781661
Molecular FormulaC16H15N3O6S
Molecular Weight377.38 g/mol
Exact Mass377.07
IUPAC Namemethyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N
InChIInChI=1S/C16H15N3O6S/c1-9-14(16(21)24-3)13(8-17)15(25-9)19-26(22,23)12-6-4-11(5-7-12)18-10(2)20/h4-7,19H,1-3H3,(H,18,20)
InChIKeySXUVDDAABWYZBS-UHFFFAOYSA-N
XLogP2.01
TPSA138.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-cyano-4-methoxycarbonyl-5-methylfuran-2-yl)sulfamoyl]benzoic acid
CID 108781671
methyl 4-cyano-5-[[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]sulfonylamino]-2-methylfuran-3-carboxylate
CID 108781667
methyl 5-[(3-acetamidobenzoyl)amino]-4-cyano-2-methylfuran-3-carboxylate
CID 108757369
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 4-cyano-5-[(2-fluorobenzoyl)amino]-2-methylfuran-3-carboxylate
CID 108757235
CID 57349684
CID 57349684
N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 3681373
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
N-[4-[(2-methoxy-4,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 110776847
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
CID 1290039
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate (CID 108781661) is methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate is COC(=O)c1c(C)oc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C#N.
What is the InChIKey of methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate?
The InChIKey is SXUVDDAABWYZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6S/c1-9-14(16(21)24-3)13(8-17)15(25-9)19-26(22,23)12-6-4-11(5-7-12)18-10(2)20/h4-7,19H,1-3H3,(H,18,20).
What are the key properties of methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate?
methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate has a molecular weight of 377.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-acetamidophenyl)sulfonylamino]-4-cyano-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108781661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).