[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate

C19H19NO5S2 — CID 55730900

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1
InChIInChI=1S/C19H19NO5S2/c1-13-4-6-14(7-5-13)16-10-11-26-18(16)19(21)24-12-15-8-9-17(25-15)27(22,23)20(2)3/h4-11H,12H2,1-3H3
InChIKeyDDIGJYZULSPBKO-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.92
Rot. Bonds6

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 55730900) has the molecular formula C19H19NO5S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID55730900
Molecular FormulaC19H19NO5S2
Molecular Weight405.50 g/mol
Exact Mass405.07
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1
InChIInChI=1S/C19H19NO5S2/c1-13-4-6-14(7-5-13)16-10-11-26-18(16)19(21)24-12-15-8-9-17(25-15)27(22,23)20(2)3/h4-11H,12H2,1-3H3
InChIKeyDDIGJYZULSPBKO-UHFFFAOYSA-N
XLogP3.92
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate (CID 55730900) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate is Cc1ccc(-c2ccsc2C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is DDIGJYZULSPBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S2/c1-13-4-6-14(7-5-13)16-10-11-26-18(16)19(21)24-12-15-8-9-17(25-15)27(22,23)20(2)3/h4-11H,12H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 55730900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).