N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide

C23H20N2O3S — CID 8582567

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)N(c2nc3ccccc3s2)c2ccccc2C)cc1
InChIInChI=1S/C23H20N2O3S/c1-16-7-3-5-9-20(16)25(23-24-19-8-4-6-10-21(19)29-23)22(26)15-28-18-13-11-17(27-2)12-14-18/h3-14H,15H2,1-2H3
InChIKeyHUSDCBTWUDPFLW-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.36
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide (PubChem CID 8582567) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
PubChem CID8582567
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)N(c2nc3ccccc3s2)c2ccccc2C)cc1
InChIInChI=1S/C23H20N2O3S/c1-16-7-3-5-9-20(16)25(23-24-19-8-4-6-10-21(19)29-23)22(26)15-28-18-13-11-17(27-2)12-14-18/h3-14H,15H2,1-2H3
InChIKeyHUSDCBTWUDPFLW-UHFFFAOYSA-N
XLogP5.36
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
CID 55333571
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 28569671
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55462709
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 18283172
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8001424
(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
CID 52533642
N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55883158
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-methylphenyl)acetamide
CID 55333597
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methylphenyl)propanamide
CID 55381162

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide (CID 8582567) is N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide is COc1ccc(OCC(=O)N(c2nc3ccccc3s2)c2ccccc2C)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide?
The InChIKey is HUSDCBTWUDPFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-16-7-3-5-9-20(16)25(23-24-19-8-4-6-10-21(19)29-23)22(26)15-28-18-13-11-17(27-2)12-14-18/h3-14H,15H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide has a molecular weight of 404.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8582567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).