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

C23H20N2O3S — CID 15991526

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1
InChIInChI=1S/C23H20N2O3S/c1-3-28-17-11-8-15(9-12-17)22(26)24-19-14-16(10-13-20(19)27-2)23-25-18-6-4-5-7-21(18)29-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyZDZJNENTJSSSPZ-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.62
Rot. Bonds6

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

N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide (PubChem CID 15991526) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide
PubChem CID15991526
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1
InChIInChI=1S/C23H20N2O3S/c1-3-28-17-11-8-15(9-12-17)22(26)24-19-14-16(10-13-20(19)27-2)23-25-18-6-4-5-7-21(18)29-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyZDZJNENTJSSSPZ-UHFFFAOYSA-N
XLogP5.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
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-(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
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 889089
N-(2-methoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 1085962

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide (CID 15991526) is N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide?
The InChIKey is ZDZJNENTJSSSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-3-28-17-11-8-15(9-12-17)22(26)24-19-14-16(10-13-20(19)27-2)23-25-18-6-4-5-7-21(18)29-23/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-4-ethoxybenzamide has a molecular weight of 404.49 g/mol, XLogP of 5.62, 6 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-ethoxybenzamide is sourced from PubChem (CID 15991526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).