N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide

C20H16N2O2S — CID 2114483

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1
InChIInChI=1S/C20H16N2O2S/c1-13-21-18-9-7-16(11-19(18)25-13)22-20(23)12-24-17-8-6-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,22,23)
InChIKeyBWDOHWCIPONACX-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.78
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 2114483) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID2114483
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1
InChIInChI=1S/C20H16N2O2S/c1-13-21-18-9-7-16(11-19(18)25-13)22-20(23)12-24-17-8-6-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,22,23)
InChIKeyBWDOHWCIPONACX-UHFFFAOYSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 43952398
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-[4-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 48671829
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915180
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 54777087
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7915185
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 100547426

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide (CID 2114483) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide is Cc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is BWDOHWCIPONACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-13-21-18-9-7-16(11-19(18)25-13)22-20(23)12-24-17-8-6-14-4-2-3-5-15(14)10-17/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 348.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 2114483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).