N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide

C23H20N2O3S — CID 19173855

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCOc1ccc2nc(NC(=O)COc3ccc(-c4ccc(C)cc4)cc3)sc2c1
InChIInChI=1S/C23H20N2O3S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-14-22(26)25-23-24-20-12-11-19(27-2)13-21(20)29-23/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeyDQNRZVNETJPMMF-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.30
Rot. Bonds6

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide (PubChem CID 19173855) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
PubChem CID19173855
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
SMILESCOc1ccc2nc(NC(=O)COc3ccc(-c4ccc(C)cc4)cc3)sc2c1
InChIInChI=1S/C23H20N2O3S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-14-22(26)25-23-24-20-12-11-19(27-2)13-21(20)29-23/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeyDQNRZVNETJPMMF-UHFFFAOYSA-N
XLogP5.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23823732
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
N-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 17479319
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
2-(3,5-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 18854078
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 38878359

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide (CID 19173855) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide is COc1ccc2nc(NC(=O)COc3ccc(-c4ccc(C)cc4)cc3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
The InChIKey is DQNRZVNETJPMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-15-3-5-16(6-4-15)17-7-9-18(10-8-17)28-14-22(26)25-23-24-20-12-11-19(27-2)13-21(20)29-23/h3-13H,14H2,1-2H3,(H,24,25,26).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide has a molecular weight of 404.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide is sourced from PubChem (CID 19173855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).