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

C23H20N2O3S — CID 7919369

IUPAC2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-2-27-18-13-9-17(10-14-18)24-22(26)15-28-19-11-7-16(8-12-19)23-25-20-5-3-4-6-21(20)29-23/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyIHGVADMQKACUIW-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.38
Rot. Bonds7

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

2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide (PubChem CID 7919369) 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-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
PubChem CID7919369
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C23H20N2O3S/c1-2-27-18-13-9-17(10-14-18)24-22(26)15-28-19-11-7-16(8-12-19)23-25-20-5-3-4-6-21(20)29-23/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyIHGVADMQKACUIW-UHFFFAOYSA-N
XLogP5.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1343042
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 1224431
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 7919354
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930
2-[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 5303623
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 17359922
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 2210345
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
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-methoxyphenyl)methyl]acetamide
CID 7706771
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-2-phenoxyacetamide
CID 112772419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide (CID 7919369) is 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is IHGVADMQKACUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-2-27-18-13-9-17(10-14-18)24-22(26)15-28-19-11-7-16(8-12-19)23-25-20-5-3-4-6-21(20)29-23/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 404.49 g/mol, XLogP of 5.38, 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 7919369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).