3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

C19H15N3O4S2 — CID 1157502

IUPAC3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)oc2ccccc12
InChIInChI=1S/C19H15N3O4S2/c1-12-15-4-2-3-5-16(15)26-17(12)18(23)21-13-6-8-14(9-7-13)28(24,25)22-19-20-10-11-27-19/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyDKVAVHKIYHXSIH-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.25
Rot. Bonds5

About 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide

3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 1157502) has the molecular formula C19H15N3O4S2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID1157502
Molecular FormulaC19H15N3O4S2
Molecular Weight413.48 g/mol
Exact Mass413.05
IUPAC Name3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)oc2ccccc12
InChIInChI=1S/C19H15N3O4S2/c1-12-15-4-2-3-5-16(15)26-17(12)18(23)21-13-6-8-14(9-7-13)28(24,25)22-19-20-10-11-27-19/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyDKVAVHKIYHXSIH-UHFFFAOYSA-N
XLogP4.25
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 1157502) is 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is DKVAVHKIYHXSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S2/c1-12-15-4-2-3-5-16(15)26-17(12)18(23)21-13-6-8-14(9-7-13)28(24,25)22-19-20-10-11-27-19/h2-11H,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1157502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).