2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C19H18N2O4S — CID 4799893

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C19H18N2O4S/c1-11-5-4-6-16-18(11)21-19(26-16)20-17(23)10-25-14-8-7-13(12(2)22)9-15(14)24-3/h4-9H,10H2,1-3H3,(H,20,21,23)
InChIKeyLPGUDXGNTUSLFK-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 4799893) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID4799893
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C19H18N2O4S/c1-11-5-4-6-16-18(11)21-19(26-16)20-17(23)10-25-14-8-7-13(12(2)22)9-15(14)24-3/h4-9H,10H2,1-3H3,(H,20,21,23)
InChIKeyLPGUDXGNTUSLFK-UHFFFAOYSA-N
XLogP3.83
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 40600944
2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218417
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 24600014
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 7924308
4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 108796089
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684
2-(4-bromo-2-tert-butylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218074
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 4799893) is 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc2c(C)cccc2s1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LPGUDXGNTUSLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11-5-4-6-16-18(11)21-19(26-16)20-17(23)10-25-14-8-7-13(12(2)22)9-15(14)24-3/h4-9H,10H2,1-3H3,(H,20,21,23).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 4799893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).