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

C13H15NO5S2 — CID 56765592

IUPACmethyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cc(C)oc1C
InChIInChI=1S/C13H15NO5S2/c1-8-6-10(9(2)19-8)7-14-21(16,17)11-4-5-20-12(11)13(15)18-3/h4-6,14H,7H2,1-3H3
InChIKeyBHLLPSJMCUFKJN-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds5

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

methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate (PubChem CID 56765592) has the molecular formula C13H15NO5S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
PubChem CID56765592
Molecular FormulaC13H15NO5S2
Molecular Weight329.40 g/mol
Exact Mass329.04
IUPAC Namemethyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)NCc1cc(C)oc1C
InChIInChI=1S/C13H15NO5S2/c1-8-6-10(9(2)19-8)7-14-21(16,17)11-4-5-20-12(11)13(15)18-3/h4-6,14H,7H2,1-3H3
InChIKeyBHLLPSJMCUFKJN-UHFFFAOYSA-N
XLogP2.22
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide
CID 86951524
methyl 3-[(4-fluoro-3-methylphenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 18148608
methyl 3-[(3,4-dichlorophenyl)methylsulfamoyl]thiophene-2-carboxylate
CID 5017680
N-[(2,5-dimethylfuran-3-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 90536208
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
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-[[5-(furan-2-yl)furan-2-yl]methylsulfamoyl]thiophene-2-carboxylate
CID 119101887
N-[(2,5-dimethylfuran-3-yl)methyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90536200
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate (CID 56765592) is methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)NCc1cc(C)oc1C.
What is the InChIKey of methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
The InChIKey is BHLLPSJMCUFKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5S2/c1-8-6-10(9(2)19-8)7-14-21(16,17)11-4-5-20-12(11)13(15)18-3/h4-6,14H,7H2,1-3H3.
What are the key properties of methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate?
methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,5-dimethylfuran-3-yl)methylsulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 56765592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).