N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide

C26H20N2O2S — CID 3492633

IUPACN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H20N2O2S/c29-25(17-30-22-14-13-19-5-1-2-6-21(19)15-22)27-16-18-9-11-20(12-10-18)26-28-23-7-3-4-8-24(23)31-26/h1-15H,16-17H2,(H,27,29)
InChIKeyAFAKQSOXNQVODR-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.81
Rot. Bonds6

About N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 3492633) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
PubChem CID3492633
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C26H20N2O2S/c29-25(17-30-22-14-13-19-5-1-2-6-21(19)15-22)27-16-18-9-11-20(12-10-18)26-28-23-7-3-4-8-24(23)31-26/h1-15H,16-17H2,(H,27,29)
InChIKeyAFAKQSOXNQVODR-UHFFFAOYSA-N
XLogP5.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(3,4-dimethylphenoxy)acetamide
CID 5007614
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]acetamide
CID 7706771
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]methylcarbamothioyl]naphthalene-2-carboxamide
CID 5032546
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-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 55577770
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2365439
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
CID 16849367
N-benzyl-2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide
CID 1069055
2-[4-(1,3-benzothiazol-2-yl)phenoxy]-N-(3-chloro-4-fluorophenyl)acetamide
CID 7919354
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-ethoxybenzamide
CID 4283032

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide (CID 3492633) is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is AFAKQSOXNQVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S/c29-25(17-30-22-14-13-19-5-1-2-6-21(19)15-22)27-16-18-9-11-20(12-10-18)26-28-23-7-3-4-8-24(23)31-26/h1-15H,16-17H2,(H,27,29).
What are the key properties of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide?
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 424.53 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 3492633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).