N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide

C21H24N2O3S — CID 19218142

IUPACN-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCCCCOc1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1
InChIInChI=1S/C21H24N2O3S/c1-4-5-10-25-16-7-8-17-19(12-16)27-21(22-17)23-20(24)13-26-18-9-6-14(2)11-15(18)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,23,24)
InChIKeyLIQONFZEYFAECC-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.11
Rot. Bonds8

About N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide

N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 19218142) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID19218142
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCCCCOc1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1
InChIInChI=1S/C21H24N2O3S/c1-4-5-10-25-16-7-8-17-19(12-16)27-21(22-17)23-20(24)13-26-18-9-6-14(2)11-15(18)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,23,24)
InChIKeyLIQONFZEYFAECC-UHFFFAOYSA-N
XLogP5.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.11
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

2-(2,4-dimethylphenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836392
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
2-(4-bromo-2-ethylphenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19219783
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7926150
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 108745532
2-(2-bromo-4-phenylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213758
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855

Frequently Asked Questions

What is the IUPAC name of N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide (CID 19218142) is N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide is CCCCOc1ccc2nc(NC(=O)COc3ccc(C)cc3C)sc2c1.
What is the InChIKey of N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is LIQONFZEYFAECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-4-5-10-25-16-7-8-17-19(12-16)27-21(22-17)23-20(24)13-26-18-9-6-14(2)11-15(18)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,22,23,24).
What are the key properties of N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide?
N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 384.50 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 19218142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).