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

C23H20N2O3S — CID 7706771

IUPAC2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-27-18-10-6-16(7-11-18)14-24-22(26)15-28-19-12-8-17(9-13-19)23-25-20-4-2-3-5-21(20)29-23/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyPZRNVJRYNBUQHY-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.67
Rot. Bonds7

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

2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 7706771) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID7706771
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-27-18-10-6-16(7-11-18)14-24-22(26)15-28-19-12-8-17(9-13-19)23-25-20-4-2-3-5-21(20)29-23/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyPZRNVJRYNBUQHY-UHFFFAOYSA-N
XLogP4.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
CID 3492633
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 5007614
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 5140843
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1224431
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 7919365
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
CID 7919369
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7907663
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-butoxybenzamide
CID 3951391
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide (CID 7706771) is 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PZRNVJRYNBUQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-27-18-10-6-16(7-11-18)14-24-22(26)15-28-19-12-8-17(9-13-19)23-25-20-4-2-3-5-21(20)29-23/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 404.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 7706771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).