[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C14H14N2O6S — CID 46426057

IUPAC[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C14H14N2O6S/c1-9-2-4-10(5-3-9)16-12(17)8-21-14(18)11-6-7-13(22-11)23(15,19)20/h2-7H,8H2,1H3,(H,16,17)(H2,15,19,20)
InChIKeyYDEIQWWQGAZXFN-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.03
Rot. Bonds5

About [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 46426057) has the molecular formula C14H14N2O6S and a molecular weight of 338.34 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID46426057
Molecular FormulaC14H14N2O6S
Molecular Weight338.34 g/mol
Exact Mass338.06
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C14H14N2O6S/c1-9-2-4-10(5-3-9)16-12(17)8-21-14(18)11-6-7-13(22-11)23(15,19)20/h2-7H,8H2,1H3,(H,16,17)(H2,15,19,20)
InChIKeyYDEIQWWQGAZXFN-UHFFFAOYSA-N
XLogP1.03
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643791
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643701
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643918
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643754
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644016
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644003
[2-(4-methylanilino)-2-oxoethyl] 3,4,5-trihydroxybenzoate
CID 23763939
[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489040
phenacyl 5-sulfamoylfuran-2-carboxylate
CID 46426116
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate
CID 46459361

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 46426057) is [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is YDEIQWWQGAZXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O6S/c1-9-2-4-10(5-3-9)16-12(17)8-21-14(18)11-6-7-13(22-11)23(15,19)20/h2-7H,8H2,1H3,(H,16,17)(H2,15,19,20).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 46426057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).