N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide

C24H22N2O3S — CID 91335241

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-28-19-11-7-17(8-12-19)4-3-16-5-9-18(10-6-16)23(27)26-24-25-21-14-13-20(29-2)15-22(21)30-24/h5-15H,3-4H2,1-2H3,(H,25,26,27)
InChIKeySKTDRZOSPUSUDM-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.35
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 91335241) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID91335241
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-28-19-11-7-17(8-12-19)4-3-16-5-9-18(10-6-16)23(27)26-24-25-21-14-13-20(29-2)15-22(21)30-24/h5-15H,3-4H2,1-2H3,(H,25,26,27)
InChIKeySKTDRZOSPUSUDM-UHFFFAOYSA-N
XLogP5.35
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-pyrrol-1-ylbenzamide
CID 24564408
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(3-prop-1-enylhex-3-enyl)benzamide
CID 91530914
4-(5-ethyl-2-pyridinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 3456818
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
4-ethyl-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 1305718
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
6-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 17395023
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N-[6-(ethoxymethoxy)-1,3-benzothiazol-2-yl]-4-[2-(4-methylphenyl)ethyl]benzamide
CID 91239635
4-(dimethylsulfamoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1356009

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide (CID 91335241) is N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)cc2)cc1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is SKTDRZOSPUSUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-28-19-11-7-17(8-12-19)4-3-16-5-9-18(10-6-16)23(27)26-24-25-21-14-13-20(29-2)15-22(21)30-24/h5-15H,3-4H2,1-2H3,(H,25,26,27).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 91335241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).