4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

C20H20N2O3S — CID 2547257

IUPAC4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13-5-10-17-18(12-13)26-20(21-17)22-19(24)4-3-11-25-16-8-6-15(7-9-16)14(2)23/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,24)
InChIKeyUTNQCMLHVIMQEP-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.61
Rot. Bonds7

About 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide

4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (PubChem CID 2547257) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
PubChem CID2547257
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-13-5-10-17-18(12-13)26-20(21-17)22-19(24)4-3-11-25-16-8-6-15(7-9-16)14(2)23/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,24)
InChIKeyUTNQCMLHVIMQEP-UHFFFAOYSA-N
XLogP4.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 7919920
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 108761854
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-chlorophenoxy)butanamide
CID 108761864
ethyl 2-(4-phenoxybutanoylamino)-1,3-benzothiazole-6-carboxylate
CID 108761950
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 108761865
ethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-1,3-benzothiazole-6-carboxylate
CID 108761948
2-(3-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2701448
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
4-(4-tert-butylphenoxy)-N-(6-chloro-1,3-benzothiazol-2-yl)butanamide
CID 7942434
4-chloro-N-[6-(2-methoxyethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 17244938

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide (CID 2547257) is 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is CC(=O)c1ccc(OCCCC(=O)Nc2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is UTNQCMLHVIMQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-5-10-17-18(12-13)26-20(21-17)22-19(24)4-3-11-25-16-8-6-15(7-9-16)14(2)23/h5-10,12H,3-4,11H2,1-2H3,(H,21,22,24).
What are the key properties of 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide?
4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 368.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 2547257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).