N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide

C26H28ClN3O2S — CID 43961353

IUPACN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESCCN(CC)CCN(C(=O)COc1ccc2ccccc2c1)c1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C26H28ClN3O2S/c1-4-29(5-2)14-15-30(26-28-25-18(3)22(27)12-13-23(25)33-26)24(31)17-32-21-11-10-19-8-6-7-9-20(19)16-21/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyCKOQGIMDTPNTCG-UHFFFAOYSA-N
MW482.05 g/mol
LogP6.17
Rot. Bonds9

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 43961353) has the molecular formula C26H28ClN3O2S and a molecular weight of 482.05 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide
PubChem CID43961353
Molecular FormulaC26H28ClN3O2S
Molecular Weight482.05 g/mol
Exact Mass481.16
IUPAC NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide
SMILESCCN(CC)CCN(C(=O)COc1ccc2ccccc2c1)c1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C26H28ClN3O2S/c1-4-29(5-2)14-15-30(26-28-25-18(3)22(27)12-13-23(25)33-26)24(31)17-32-21-11-10-19-8-6-7-9-20(19)16-21/h6-13,16H,4-5,14-15,17H2,1-3H3
InChIKeyCKOQGIMDTPNTCG-UHFFFAOYSA-N
XLogP6.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.05
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43960775
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 43967123
N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)acetamide
CID 43961453
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 43961454
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 43961488
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 43961325
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3,4-diethoxybenzamide
CID 43961115
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44919521
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 43962582
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 43997630
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 43961473
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 43962585

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide (CID 43961353) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide is CCN(CC)CCN(C(=O)COc1ccc2ccccc2c1)c1nc2c(C)c(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is CKOQGIMDTPNTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2S/c1-4-29(5-2)14-15-30(26-28-25-18(3)22(27)12-13-23(25)33-26)24(31)17-32-21-11-10-19-8-6-7-9-20(19)16-21/h6-13,16H,4-5,14-15,17H2,1-3H3.
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 482.05 g/mol, XLogP of 6.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 43961353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).