methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate

C15H13NO6S2 — CID 119101887

IUPACmethyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(-c2ccco2)o1
InChIInChI=1S/C15H13NO6S2/c1-20-15(17)14-13(6-8-23-14)24(18,19)16-9-10-4-5-12(22-10)11-3-2-7-21-11/h2-8,16H,9H2,1H3
InChIKeyPGDDUGBTEQJWFP-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.87
Rot. Bonds6

About methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate

methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 119101887) has the molecular formula C15H13NO6S2 and a molecular weight of 367.40 g/mol. Its IUPAC name is methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
PubChem CID119101887
Molecular FormulaC15H13NO6S2
Molecular Weight367.40 g/mol
Exact Mass367.02
IUPAC Namemethyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1ccc(-c2ccco2)o1
InChIInChI=1S/C15H13NO6S2/c1-20-15(17)14-13(6-8-23-14)24(18,19)16-9-10-4-5-12(22-10)11-3-2-7-21-11/h2-8,16H,9H2,1H3
InChIKeyPGDDUGBTEQJWFP-UHFFFAOYSA-N
XLogP2.87
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 56765592
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
CID 18148317
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 5017680
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
2-hydroxy-3-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]propanoic acid
CID 66166894
methyl 3-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylate
CID 114694295
methyl 3-[[2-(trifluoromethoxy)phenyl]methylsulfamoyl]thiophene-2-carboxylate
CID 3750756
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894
1-ethyl-3-[[5-(furan-2-yl)furan-2-yl]methyl]urea
CID 122244089

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate (CID 119101887) is methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1ccc(-c2ccco2)o1.
What is the InChIKey of methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is PGDDUGBTEQJWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6S2/c1-20-15(17)14-13(6-8-23-14)24(18,19)16-9-10-4-5-12(22-10)11-3-2-7-21-11/h2-8,16H,9H2,1H3.
What are the key properties of methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 119101887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).