N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide

C23H22N2O2S — CID 5166243

IUPACN-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCCCc1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C23H22N2O2S/c1-2-3-6-16-9-12-20-21(13-16)28-23(24-20)25-22(26)15-27-19-11-10-17-7-4-5-8-18(17)14-19/h4-5,7-14H,2-3,6,15H2,1H3,(H,24,25,26)
InChIKeyAWFBPMUGUZOHFI-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.81
Rot. Bonds7

About N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide

N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 5166243) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID5166243
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCCCc1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C23H22N2O2S/c1-2-3-6-16-9-12-20-21(13-16)28-23(24-20)25-22(26)15-27-19-11-10-17-7-4-5-8-18(17)14-19/h4-5,7-14H,2-3,6,15H2,1H3,(H,24,25,26)
InChIKeyAWFBPMUGUZOHFI-UHFFFAOYSA-N
XLogP5.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 5162221
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
2-(4-bromo-2-propan-2-ylphenoxy)-N-(6-butyl-1,3-benzothiazol-2-yl)acetamide
CID 19210040
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4237233
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
methyl N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 60529886
butyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 17127846
N-(1,3-benzothiazol-2-yl)-2-(3-heptoxyphenoxy)acetamide
CID 4733411
N-[2-[(6-butyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 55370141
2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide (CID 5166243) is N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide is CCCCc1ccc2nc(NC(=O)COc3ccc4ccccc4c3)sc2c1.
What is the InChIKey of N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is AWFBPMUGUZOHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-2-3-6-16-9-12-20-21(13-16)28-23(24-20)25-22(26)15-27-19-11-10-17-7-4-5-8-18(17)14-19/h4-5,7-14H,2-3,6,15H2,1H3,(H,24,25,26).
What are the key properties of N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 390.51 g/mol, XLogP of 5.81, 7 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-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 5166243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).