N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

C20H15ClN2O2S — CID 16849484

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)Cc3ccc4ccccc4c3)nc12
InChIInChI=1S/C20H15ClN2O2S/c1-25-16-9-8-15(21)19-18(16)23-20(26-19)22-17(24)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10H,11H2,1H3,(H,22,23,24)
InChIKeyXQDFNRCBHKJKPB-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.29
Rot. Bonds4

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 16849484) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID16849484
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)Cc3ccc4ccccc4c3)nc12
InChIInChI=1S/C20H15ClN2O2S/c1-25-16-9-8-15(21)19-18(16)23-20(26-19)22-17(24)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10H,11H2,1H3,(H,22,23,24)
InChIKeyXQDFNRCBHKJKPB-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848238
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849433
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43994670
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
1-benzhydryl-3-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082762
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362606
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methylphenyl)urea
CID 121081229
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7590071
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (CID 16849484) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide is COc1ccc(Cl)c2sc(NC(=O)Cc3ccc4ccccc4c3)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is XQDFNRCBHKJKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-25-16-9-8-15(21)19-18(16)23-20(26-19)22-17(24)11-12-6-7-13-4-2-3-5-14(13)10-12/h2-10H,11H2,1H3,(H,22,23,24).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 382.87 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).