N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide

C21H24N2O2S — CID 5162221

IUPACN-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCCCc1ccc2nc(NC(=O)COc3ccc(CC)cc3)sc2c1
InChIInChI=1S/C21H24N2O2S/c1-3-5-6-16-9-12-18-19(13-16)26-21(22-18)23-20(24)14-25-17-10-7-15(4-2)8-11-17/h7-13H,3-6,14H2,1-2H3,(H,22,23,24)
InChIKeyOOHFJCKDVGPCTG-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.22
Rot. Bonds8

About N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide

N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide (PubChem CID 5162221) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
PubChem CID5162221
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCCCc1ccc2nc(NC(=O)COc3ccc(CC)cc3)sc2c1
InChIInChI=1S/C21H24N2O2S/c1-3-5-6-16-9-12-18-19(13-16)26-21(22-18)23-20(24)14-25-17-10-7-15(4-2)8-11-17/h7-13H,3-6,14H2,1-2H3,(H,22,23,24)
InChIKeyOOHFJCKDVGPCTG-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 5166243
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
butyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17127846
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 1190284
methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 60529886
2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide
CID 19210040
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(4-butoxyphenyl)methyl]propanamide
CID 46289443
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide (CID 5162221) is N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide is CCCCc1ccc2nc(NC(=O)COc3ccc(CC)cc3)sc2c1.
What is the InChIKey of N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is OOHFJCKDVGPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-3-5-6-16-9-12-18-19(13-16)26-21(22-18)23-20(24)14-25-17-10-7-15(4-2)8-11-17/h7-13H,3-6,14H2,1-2H3,(H,22,23,24).
What are the key properties of N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 368.50 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 5162221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).