N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide

C20H15ClN2O2S — CID 4237233

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1cc2sc(NC(=O)COc3ccc4ccccc4c3)nc2cc1Cl
InChIInChI=1S/C20H15ClN2O2S/c1-12-8-18-17(10-16(12)21)22-20(26-18)23-19(24)11-25-15-7-6-13-4-2-3-5-14(13)9-15/h2-10H,11H2,1H3,(H,22,23,24)
InChIKeyBPPNRXJWHWHZJV-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.43
Rot. Bonds4

About N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 4237233) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID4237233
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
SMILESCc1cc2sc(NC(=O)COc3ccc4ccccc4c3)nc2cc1Cl
InChIInChI=1S/C20H15ClN2O2S/c1-12-8-18-17(10-16(12)21)22-20(26-18)23-19(24)11-25-15-7-6-13-4-2-3-5-14(13)9-15/h2-10H,11H2,1H3,(H,22,23,24)
InChIKeyBPPNRXJWHWHZJV-UHFFFAOYSA-N
XLogP5.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
CID 108767849
N-(6-butyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 5166243
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 35569922
2-(3-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 16551900
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307866
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
2-(4-chloro-3-methylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217431
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-(4-nitrophenoxy)acetamide
CID 40614059
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide (CID 4237233) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide is Cc1cc2sc(NC(=O)COc3ccc4ccccc4c3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is BPPNRXJWHWHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-12-8-18-17(10-16(12)21)22-20(26-18)23-19(24)11-25-15-7-6-13-4-2-3-5-14(13)9-15/h2-10H,11H2,1H3,(H,22,23,24).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 382.87 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 4237233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).