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

C21H18N2O3S — CID 100547426

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCn1c(=O)sc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C21H18N2O3S/c1-2-23-18-10-8-16(12-19(18)27-21(23)25)22-20(24)13-26-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyIEPQCOMIFFGOTO-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.25
Rot. Bonds5

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

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 100547426) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID100547426
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCn1c(=O)sc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C21H18N2O3S/c1-2-23-18-10-8-16(12-19(18)27-21(23)25)22-20(24)13-26-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,22,24)
InChIKeyIEPQCOMIFFGOTO-UHFFFAOYSA-N
XLogP4.25
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 22577350
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2-methyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 2114483
2-ethoxy-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46249436
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100537338
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide
CID 43952398
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 22577353
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100531271

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide (CID 100547426) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide is CCn1c(=O)sc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is IEPQCOMIFFGOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-2-23-18-10-8-16(12-19(18)27-21(23)25)22-20(24)13-26-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,22,24).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 378.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 100547426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).