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

C14H14N2O7S — CID 55644085

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C14H14N2O7S/c1-21-10-4-2-9(3-5-10)16-12(17)8-22-14(18)11-6-7-13(23-11)24(15,19)20/h2-7H,8H2,1H3,(H,16,17)(H2,15,19,20)
InChIKeyQVUMYPVVCMGQQD-UHFFFAOYSA-N
MW354.34 g/mol
LogP0.73
Rot. Bonds6

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

[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55644085) has the molecular formula C14H14N2O7S and a molecular weight of 354.34 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55644085
Molecular FormulaC14H14N2O7S
Molecular Weight354.34 g/mol
Exact Mass354.05
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1
InChIInChI=1S/C14H14N2O7S/c1-21-10-4-2-9(3-5-10)16-12(17)8-22-14(18)11-6-7-13(23-11)24(15,19)20/h2-7H,8H2,1H3,(H,16,17)(H2,15,19,20)
InChIKeyQVUMYPVVCMGQQD-UHFFFAOYSA-N
XLogP0.73
TPSA137.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643755
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643701
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methoxybenzoate
CID 2510265
[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643937
[2-(4-methoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994064
[2-(4-methoxyanilino)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate
CID 7691610
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643754
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644003
[2-(4-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670499
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55644085) is [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is COc1ccc(NC(=O)COC(=O)c2ccc(S(N)(=O)=O)o2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is QVUMYPVVCMGQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O7S/c1-21-10-4-2-9(3-5-10)16-12(17)8-22-14(18)11-6-7-13(23-11)24(15,19)20/h2-7H,8H2,1H3,(H,16,17)(H2,15,19,20).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 354.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55644085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).