N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide

C22H18N2O3S — CID 3160193

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1OC
InChIInChI=1S/C22H18N2O3S/c1-26-18-9-5-3-7-15(18)21(25)23-17-13-14(11-12-19(17)27-2)22-24-16-8-4-6-10-20(16)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyDXLFLZOZGUYZEG-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.23
Rot. Bonds5

About N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide (PubChem CID 3160193) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
PubChem CID3160193
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide
SMILESCOc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1OC
InChIInChI=1S/C22H18N2O3S/c1-26-18-9-5-3-7-15(18)21(25)23-17-13-14(11-12-19(17)27-2)22-24-16-8-4-6-10-20(16)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyDXLFLZOZGUYZEG-UHFFFAOYSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide (CID 3160193) is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide is COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1OC.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide?
The InChIKey is DXLFLZOZGUYZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-18-9-5-3-7-15(18)21(25)23-17-13-14(11-12-19(17)27-2)22-24-16-8-4-6-10-20(16)28-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide has a molecular weight of 390.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-methoxybenzamide is sourced from PubChem (CID 3160193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).