2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide

C23H20N2O2S — CID 2101991

IUPAC2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)cc1C
InChIInChI=1S/C23H20N2O2S/c1-15-11-12-17(13-16(15)2)24-22(26)14-27-20-9-5-3-7-18(20)23-25-19-8-4-6-10-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyIAPCCZWWYDVRBY-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.60
Rot. Bonds5

About 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide

2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 2101991) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
PubChem CID2101991
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)cc1C
InChIInChI=1S/C23H20N2O2S/c1-15-11-12-17(13-16(15)2)24-22(26)14-27-20-9-5-3-7-18(20)23-25-19-8-4-6-10-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyIAPCCZWWYDVRBY-UHFFFAOYSA-N
XLogP5.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1396043
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 5016157
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 2210345
2-[5-acetamido-2-(1,3-benzothiazol-2-yl)phenoxy]acetic acid
CID 28692152
N-(3,4-dimethylphenyl)-2-[2-(1H-1,2,4-triazol-5-yl)phenoxy]acetamide
CID 71844202
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(3,4-dimethylphenyl)urea
CID 46381130
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 17318560
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 1362904
2-[2-(1,3-benzothiazol-2-yl)-4-(2-methylpropanoylamino)phenoxy]acetic acid
CID 28691810
2-(1,3-benzothiazol-2-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 18858890
N-(3,4-dimethylphenyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 46391581
2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide (CID 2101991) is 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)cc1C.
What is the InChIKey of 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is IAPCCZWWYDVRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-11-12-17(13-16(15)2)24-22(26)14-27-20-9-5-3-7-18(20)23-25-19-8-4-6-10-21(19)28-23/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide?
2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 388.49 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzothiazol-2-yl)phenoxy]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2101991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).