N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C23H28N2O2S — CID 53268763

IUPACN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)ccc1C(C)C
InChIInChI=1S/C23H28N2O2S/c1-14(2)18-9-8-17(11-15(18)3)27-13-21(26)25-22-24-19-10-7-16(23(4,5)6)12-20(19)28-22/h7-12,14H,13H2,1-6H3,(H,24,25,26)
InChIKeyAYAXCUUIWAORPK-UHFFFAOYSA-N
MW396.56 g/mol
LogP6.04
Rot. Bonds5

About N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 53268763) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID53268763
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)ccc1C(C)C
InChIInChI=1S/C23H28N2O2S/c1-14(2)18-9-8-17(11-15(18)3)27-13-21(26)25-22-24-19-10-7-16(23(4,5)6)12-20(19)28-22/h7-12,14H,13H2,1-6H3,(H,24,25,26)
InChIKeyAYAXCUUIWAORPK-UHFFFAOYSA-N
XLogP6.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 53268762
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 53268787
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 53268881
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19210139
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3630491
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218344
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7926150
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19228023

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 53268763) is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)ccc1C(C)C.
What is the InChIKey of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is AYAXCUUIWAORPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-14(2)18-9-8-17(11-15(18)3)27-13-21(26)25-22-24-19-10-7-16(23(4,5)6)12-20(19)28-22/h7-12,14H,13H2,1-6H3,(H,24,25,26).
What are the key properties of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 396.56 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 53268763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).