N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide

C18H17N3O3S — CID 1092962

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H17N3O3S/c1-11-3-6-14(7-4-11)24-10-17(23)21-18-20-15-8-5-13(19-12(2)22)9-16(15)25-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyBSUXPKCFZWCGQJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.58
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 1092962) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
PubChem CID1092962
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H17N3O3S/c1-11-3-6-14(7-4-11)24-10-17(23)21-18-20-15-8-5-13(19-12(2)22)9-16(15)25-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyBSUXPKCFZWCGQJ-UHFFFAOYSA-N
XLogP3.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide (CID 1092962) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide is CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C)cc3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is BSUXPKCFZWCGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-3-6-14(7-4-11)24-10-17(23)21-18-20-15-8-5-13(19-12(2)22)9-16(15)25-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1092962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).