N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide

C22H18N2O3S — CID 3161328

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1
InChIInChI=1S/C22H18N2O3S/c1-26-16-10-7-14(8-11-16)21(25)23-18-13-15(9-12-19(18)27-2)22-24-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyIKICADYQKYTSEO-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.23
Rot. Bonds5

About N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide (PubChem CID 3161328) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
PubChem CID3161328
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1
InChIInChI=1S/C22H18N2O3S/c1-26-16-10-7-14(8-11-16)21(25)23-18-13-15(9-12-19(18)27-2)22-24-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,23,25)
InChIKeyIKICADYQKYTSEO-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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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]acetamide
CID 934737
2-Methyl-benzothiazole-6-carboxylic acid (4-methoxy-phenyl)-amide
CID 1085963
2-(1,3-Benzothiazol-2-ylmethoxy)benzamide
CID 7642112
N-[2-[2-(2-methylphenoxy)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide
CID 16015353
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2,4-dimethoxybenzamide
CID 4136782
2-Methyl-benzothiazole-6-carboxylic acid (3-methoxy-phenyl)-amide
CID 1085964
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1242890
3-Benzothiazol-2-yl-1-(4-ethoxy-phenyl)-propan-1-one
CID 1503445
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide (CID 3161328) is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
The InChIKey is IKICADYQKYTSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-26-16-10-7-14(8-11-16)21(25)23-18-13-15(9-12-19(18)27-2)22-24-17-5-3-4-6-20(17)28-22/h3-13H,1-2H3,(H,23,25).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-methoxybenzamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 3161328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).