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

C16H15NO5S3 — CID 71804126

IUPACmethyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C16H15NO5S3/c1-21-16(18)15-14(5-8-24-15)25(19,20)17(9-12-4-6-22-11-12)10-13-3-2-7-23-13/h2-8,11H,9-10H2,1H3
InChIKeyCQNZSIDRQQWNQJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.58
Rot. Bonds7

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

methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 71804126) has the molecular formula C16H15NO5S3 and a molecular weight of 397.50 g/mol. Its IUPAC name is methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID71804126
Molecular FormulaC16H15NO5S3
Molecular Weight397.50 g/mol
Exact Mass397.01
IUPAC Namemethyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C16H15NO5S3/c1-21-16(18)15-14(5-8-24-15)25(19,20)17(9-12-4-6-22-11-12)10-13-3-2-7-23-13/h2-8,11H,9-10H2,1H3
InChIKeyCQNZSIDRQQWNQJ-UHFFFAOYSA-N
XLogP3.58
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate (CID 71804126) is methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is CQNZSIDRQQWNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5S3/c1-21-16(18)15-14(5-8-24-15)25(19,20)17(9-12-4-6-22-11-12)10-13-3-2-7-23-13/h2-8,11H,9-10H2,1H3.
What are the key properties of methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 397.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[furan-3-ylmethyl(thiophen-2-ylmethyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 71804126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).