N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide

C20H22N2O3S — CID 16848266

IUPACN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(OC)c(C)c2)sc2cccc(OC)c21
InChIInChI=1S/C20H22N2O3S/c1-5-22-19-16(25-4)7-6-8-17(19)26-20(22)21-18(23)12-14-9-10-15(24-3)13(2)11-14/h6-11H,5,12H2,1-4H3/b21-20-
InChIKeyINSLDUYHKSXMBD-MRCUWXFGSA-N
MW370.47 g/mol
LogP3.72
Rot. Bonds5

About N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide

N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 16848266) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID16848266
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCCn1/c(=N/C(=O)Cc2ccc(OC)c(C)c2)sc2cccc(OC)c21
InChIInChI=1S/C20H22N2O3S/c1-5-22-19-16(25-4)7-6-8-17(19)26-20(22)21-18(23)12-14-9-10-15(24-3)13(2)11-14/h6-11H,5,12H2,1-4H3/b21-20-
InChIKeyINSLDUYHKSXMBD-MRCUWXFGSA-N
XLogP3.72
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 16912578
N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848378
N-(3-ethyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848405
2-(4-methoxy-3-methylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16848042
methyl 2-[2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16848341
methyl 2-[4,7-dimethoxy-2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16848295
2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524668
N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 2151019
ethyl 2-[6-ethyl-2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 16848408
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
CID 16799560
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfanylphenyl)acetamide
CID 42525037
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(4-propan-2-ylphenyl)acetamide
CID 41362730

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide (CID 16848266) is N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide is CCn1/c(=N/C(=O)Cc2ccc(OC)c(C)c2)sc2cccc(OC)c21.
What is the InChIKey of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is INSLDUYHKSXMBD-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-5-22-19-16(25-4)7-6-8-17(19)26-20(22)21-18(23)12-14-9-10-15(24-3)13(2)11-14/h6-11H,5,12H2,1-4H3/b21-20-.
What are the key properties of N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide?
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 16848266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).