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

C15H15N3O7S — CID 55643941

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C15H15N3O7S/c1-9(19)17-10-2-4-11(5-3-10)18-13(20)8-24-15(21)12-6-7-14(25-12)26(16,22)23/h2-7H,8H2,1H3,(H,17,19)(H,18,20)(H2,16,22,23)
InChIKeyJHFJYZPOXGLGNF-UHFFFAOYSA-N
MW381.37 g/mol
LogP0.68
Rot. Bonds6

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

[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643941) has the molecular formula C15H15N3O7S and a molecular weight of 381.37 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643941
Molecular FormulaC15H15N3O7S
Molecular Weight381.37 g/mol
Exact Mass381.06
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C15H15N3O7S/c1-9(19)17-10-2-4-11(5-3-10)18-13(20)8-24-15(21)12-6-7-14(25-12)26(16,22)23/h2-7H,8H2,1H3,(H,17,19)(H,18,20)(H2,16,22,23)
InChIKeyJHFJYZPOXGLGNF-UHFFFAOYSA-N
XLogP0.68
TPSA157.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643701
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643754
(7-acetamido-2-oxochromen-4-yl)methyl 5-sulfamoylfuran-2-carboxylate
CID 55643841
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643791
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644024
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644003
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643918
phenacyl 5-sulfamoylfuran-2-carboxylate
CID 46426116
(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
CID 46426101

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55643941) is [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is JHFJYZPOXGLGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O7S/c1-9(19)17-10-2-4-11(5-3-10)18-13(20)8-24-15(21)12-6-7-14(25-12)26(16,22)23/h2-7H,8H2,1H3,(H,17,19)(H,18,20)(H2,16,22,23).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 381.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).