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

C20H16N2O2S2 — CID 43952398

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCSc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1
InChIInChI=1S/C20H16N2O2S2/c1-25-20-22-17-9-7-15(11-18(17)26-20)21-19(23)12-24-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyABPNMBFJFURGKX-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.19
Rot. Bonds5

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

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 43952398) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID43952398
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCSc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1
InChIInChI=1S/C20H16N2O2S2/c1-25-20-22-17-9-7-15(11-18(17)26-20)21-19(23)12-24-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,21,23)
InChIKeyABPNMBFJFURGKX-UHFFFAOYSA-N
XLogP5.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-phenoxypropanamide
CID 4781570
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 47411212
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
1-(4-methoxyphenyl)-3-(2-methylsulfanyl-1,3-benzothiazol-6-yl)urea
CID 2381206
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 1040773
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
ethyl 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoate
CID 26850848
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 100547426
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide (CID 43952398) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide is CSc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is ABPNMBFJFURGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c1-25-20-22-17-9-7-15(11-18(17)26-20)21-19(23)12-24-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 380.49 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 43952398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).