N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide

C24H18N2O3S — CID 8550950

IUPACN-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C24H18N2O3S/c1-15-22(23(27)26-24-25-19-9-5-6-10-21(19)30-24)18-13-17(11-12-20(18)29-15)28-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyOHLAOJQQIXMUBA-UHFFFAOYSA-N
MW414.49 g/mol
LogP6.18
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide

N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (PubChem CID 8550950) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
PubChem CID8550950
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C24H18N2O3S/c1-15-22(23(27)26-24-25-19-9-5-6-10-21(19)30-24)18-13-17(11-12-20(18)29-15)28-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyOHLAOJQQIXMUBA-UHFFFAOYSA-N
XLogP6.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (CID 8550950) is N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The InChIKey is OHLAOJQQIXMUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c1-15-22(23(27)26-24-25-19-9-5-6-10-21(19)30-24)18-13-17(11-12-20(18)29-15)28-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,25,26,27).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 8550950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).