N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

C23H16N2O2S — CID 1242155

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O2S/c1-14-12-16(23-25-18-7-3-5-9-21(18)28-23)10-11-17(14)24-22(26)20-13-15-6-2-4-8-19(15)27-20/h2-13H,1H3,(H,24,26)
InChIKeyFQDUPADBRUKIQL-UHFFFAOYSA-N
MW384.46 g/mol
LogP6.27
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 1242155) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID1242155
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C23H16N2O2S/c1-14-12-16(23-25-18-7-3-5-9-21(18)28-23)10-11-17(14)24-22(26)20-13-15-6-2-4-8-19(15)27-20/h2-13H,1H3,(H,24,26)
InChIKeyFQDUPADBRUKIQL-UHFFFAOYSA-N
XLogP6.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 1242155) is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is FQDUPADBRUKIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c1-14-12-16(23-25-18-7-3-5-9-21(18)28-23)10-11-17(14)24-22(26)20-13-15-6-2-4-8-19(15)27-20/h2-13H,1H3,(H,24,26).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1242155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).