N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide

C18H18N2O3S — CID 750458

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cc3ccc(OC)cc3)sc2c1
InChIInChI=1S/C18H18N2O3S/c1-3-23-14-8-9-15-16(11-14)24-18(19-15)20-17(21)10-12-4-6-13(22-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyUBKJNTJMDVKXSQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.88
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide (PubChem CID 750458) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
PubChem CID750458
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cc3ccc(OC)cc3)sc2c1
InChIInChI=1S/C18H18N2O3S/c1-3-23-14-8-9-15-16(11-14)24-18(19-15)20-17(21)10-12-4-6-13(22-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20,21)
InChIKeyUBKJNTJMDVKXSQ-UHFFFAOYSA-N
XLogP3.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide (CID 750458) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide is CCOc1ccc2nc(NC(=O)Cc3ccc(OC)cc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is UBKJNTJMDVKXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-23-14-8-9-15-16(11-14)24-18(19-15)20-17(21)10-12-4-6-13(22-2)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 750458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).