2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

C23H20N2O3S — CID 7532927

IUPAC2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1OC
InChIInChI=1S/C23H20N2O3S/c1-14-7-12-18-20(13-14)29-23(25-18)15-8-10-16(11-9-15)24-22(26)17-5-4-6-19(27-2)21(17)28-3/h4-13H,1-3H3,(H,24,26)
InChIKeyNHGPXQZTIMYJLB-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.54
Rot. Bonds5

About 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 7532927) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
PubChem CID7532927
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1OC
InChIInChI=1S/C23H20N2O3S/c1-14-7-12-18-20(13-14)29-23(25-18)15-8-10-16(11-9-15)24-22(26)17-5-4-6-19(27-2)21(17)28-3/h4-13H,1-3H3,(H,24,26)
InChIKeyNHGPXQZTIMYJLB-UHFFFAOYSA-N
XLogP5.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (CID 7532927) is 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The InChIKey is NHGPXQZTIMYJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-14-7-12-18-20(13-14)29-23(25-18)15-8-10-16(11-9-15)24-22(26)17-5-4-6-19(27-2)21(17)28-3/h4-13H,1-3H3,(H,24,26).
What are the key properties of 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 404.49 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 7532927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).