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

C21H24N2O2S — CID 53269191

IUPACN-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc3ccc(C(C)CC)cc3s2)cc1
InChIInChI=1S/C21H24N2O2S/c1-4-14(3)16-8-11-18-19(12-16)26-21(22-18)23-20(24)13-25-17-9-6-15(5-2)7-10-17/h6-12,14H,4-5,13H2,1-3H3,(H,22,23,24)
InChIKeyUVOIKXVYEQWJCU-UHFFFAOYSA-N
MW368.50 g/mol
LogP5.39
Rot. Bonds7

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

N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide (PubChem CID 53269191) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
PubChem CID53269191
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc3ccc(C(C)CC)cc3s2)cc1
InChIInChI=1S/C21H24N2O2S/c1-4-14(3)16-8-11-18-19(12-16)26-21(22-18)23-20(24)13-25-17-9-6-15(5-2)7-10-17/h6-12,14H,4-5,13H2,1-3H3,(H,22,23,24)
InChIKeyUVOIKXVYEQWJCU-UHFFFAOYSA-N
XLogP5.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
2-(2-bromo-4-ethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269143
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-[6-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]butanamide
CID 22778343
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
2-(4-butan-2-ylphenoxy)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 46742320
butyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17127846
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1075302
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(6-butan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 53269114
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide
CID 4623052
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 1190284

Frequently Asked Questions

What is the IUPAC name of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide (CID 53269191) is N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2nc3ccc(C(C)CC)cc3s2)cc1.
What is the InChIKey of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is UVOIKXVYEQWJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-4-14(3)16-8-11-18-19(12-16)26-21(22-18)23-20(24)13-25-17-9-6-15(5-2)7-10-17/h6-12,14H,4-5,13H2,1-3H3,(H,22,23,24).
What are the key properties of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide?
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 368.50 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 53269191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).