methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate

C12H13NO5S2 — CID 18148317

IUPACmethyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H13NO5S2/c1-13(8-9-4-3-6-18-9)20(15,16)10-5-7-19-11(10)12(14)17-2/h3-7H,8H2,1-2H3
InChIKeyGJVWIHYGIPHNCF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.95
Rot. Bonds5

About methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 18148317) has the molecular formula C12H13NO5S2 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID18148317
Molecular FormulaC12H13NO5S2
Molecular Weight315.37 g/mol
Exact Mass315.02
IUPAC Namemethyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C12H13NO5S2/c1-13(8-9-4-3-6-18-9)20(15,16)10-5-7-19-11(10)12(14)17-2/h3-7H,8H2,1-2H3
InChIKeyGJVWIHYGIPHNCF-UHFFFAOYSA-N
XLogP1.95
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate (CID 18148317) is methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is GJVWIHYGIPHNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S2/c1-13(8-9-4-3-6-18-9)20(15,16)10-5-7-19-11(10)12(14)17-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[furan-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 18148317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).