[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

C13H12N2O8S2 — CID 55643701

IUPAC[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C13H12N2O8S2/c1-21-13(18)11-7(4-5-24-11)15-9(16)6-22-12(17)8-2-3-10(23-8)25(14,19)20/h2-5H,6H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeyMPEUKCGJBTYHMY-UHFFFAOYSA-N
MW388.38 g/mol
LogP0.57
Rot. Bonds6

About [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate

[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (PubChem CID 55643701) has the molecular formula C13H12N2O8S2 and a molecular weight of 388.38 g/mol. Its IUPAC name is [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
PubChem CID55643701
Molecular FormulaC13H12N2O8S2
Molecular Weight388.38 g/mol
Exact Mass388.00
IUPAC Name[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C13H12N2O8S2/c1-21-13(18)11-7(4-5-24-11)15-9(16)6-22-12(17)8-2-3-10(23-8)25(14,19)20/h2-5H,6H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeyMPEUKCGJBTYHMY-UHFFFAOYSA-N
XLogP0.57
TPSA155.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644085
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 36711248
[2-(4-acetamidoanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643941
[2-(2-acetylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643937
[2-(4-methylanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 46426057
methyl 5-sulfamoylfuran-2-carboxylate
CID 3146896
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644003
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55643755
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate
CID 55644016
methyl 3-[[2-[3-[4-(diethylsulfamoyl)phenyl]propanoyloxy]acetyl]amino]thiophene-2-carboxylate
CID 36709924
methyl 3-[[2-(4-bromo-3,5-dimethoxybenzoyl)oxyacetyl]amino]thiophene-2-carboxylate
CID 36715295
(4-methoxycarbonylphenyl)methyl 5-sulfamoylfuran-2-carboxylate
CID 46426101

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate (CID 55643701) is [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is COC(=O)c1sccc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
The InChIKey is MPEUKCGJBTYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O8S2/c1-21-13(18)11-7(4-5-24-11)15-9(16)6-22-12(17)8-2-3-10(23-8)25(14,19)20/h2-5H,6H2,1H3,(H,15,16)(H2,14,19,20).
What are the key properties of [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate?
[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate has a molecular weight of 388.38 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl] 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 55643701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).