2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

C19H18N2O4S — CID 4800554

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C19H18N2O4S/c1-11(22)13-4-7-16(17(8-13)24-3)25-10-19(23)21-14-5-6-15-18(9-14)26-12(2)20-15/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyJOZHCQCIBBPXDJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.83
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (PubChem CID 4800554) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
PubChem CID4800554
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C19H18N2O4S/c1-11(22)13-4-7-16(17(8-13)24-3)25-10-19(23)21-14-5-6-15-18(9-14)26-12(2)20-15/h4-9H,10H2,1-3H3,(H,21,23)
InChIKeyJOZHCQCIBBPXDJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide (CID 4800554) is 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
The InChIKey is JOZHCQCIBBPXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11(22)13-4-7-16(17(8-13)24-3)25-10-19(23)21-14-5-6-15-18(9-14)26-12(2)20-15/h4-9H,10H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-6-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-(2-methyl-1,3-benzothiazol-6-yl)acetamide is sourced from PubChem (CID 4800554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).