N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide

C21H24N2O3S — CID 53268881

IUPACN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C21H24N2O3S/c1-5-25-16-8-6-7-9-17(16)26-13-19(24)23-20-22-15-11-10-14(21(2,3)4)12-18(15)27-20/h6-12H,5,13H2,1-4H3,(H,22,23,24)
InChIKeyIAGFMPPGDLDGAM-UHFFFAOYSA-N
MW384.50 g/mol
LogP5.01
Rot. Bonds6

About N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide

N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide (PubChem CID 53268881) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
PubChem CID53268881
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1
InChIInChI=1S/C21H24N2O3S/c1-5-25-16-8-6-7-9-17(16)26-13-19(24)23-20-22-15-11-10-14(21(2,3)4)12-18(15)27-20/h6-12H,5,13H2,1-4H3,(H,22,23,24)
InChIKeyIAGFMPPGDLDGAM-UHFFFAOYSA-N
XLogP5.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-3,4,5-triethoxybenzamide
CID 53268856
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 53269144
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 53268763
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19210139
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
phenyl N-(6-tert-butyl-1,3-benzothiazol-2-yl)carbamate
CID 53268833

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide (CID 53268881) is N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1.
What is the InChIKey of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is IAGFMPPGDLDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-5-25-16-8-6-7-9-17(16)26-13-19(24)23-20-22-15-11-10-14(21(2,3)4)12-18(15)27-20/h6-12H,5,13H2,1-4H3,(H,22,23,24).
What are the key properties of N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide?
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 384.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 53268881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).