2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide

C20H22N2O3S — CID 24552185

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)COCc2nc3ccccc3s2)c1
InChIInChI=1S/C20H22N2O3S/c1-15-6-5-7-16(12-15)25-11-10-22(2)20(23)14-24-13-19-21-17-8-3-4-9-18(17)26-19/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyWGRVDOQBPHHKGA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.66
Rot. Bonds8

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 24552185) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID24552185
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCc1cccc(OCCN(C)C(=O)COCc2nc3ccccc3s2)c1
InChIInChI=1S/C20H22N2O3S/c1-15-6-5-7-16(12-15)25-11-10-22(2)20(23)14-24-13-19-21-17-8-3-4-9-18(17)26-19/h3-9,12H,10-11,13-14H2,1-2H3
InChIKeyWGRVDOQBPHHKGA-UHFFFAOYSA-N
XLogP3.66
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)ethyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 55320432
3-(1,3-benzothiazol-2-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 112792748
3-(1,3-benzothiazol-2-ylmethyl)-1-methyl-1-(2-phenoxyethyl)urea
CID 36900446
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-(2-phenoxyethyl)carbamate
CID 18932097
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 29361749
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-naphthalen-2-yloxyacetamide
CID 7670189
1,3-benzothiazol-2-ylmethyl 2-(3-chlorophenoxy)acetate
CID 7803684
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119949182
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 9328120

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 24552185) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is Cc1cccc(OCCN(C)C(=O)COCc2nc3ccccc3s2)c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is WGRVDOQBPHHKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-6-5-7-16(12-15)25-11-10-22(2)20(23)14-24-13-19-21-17-8-3-4-9-18(17)26-19/h3-9,12H,10-11,13-14H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 24552185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).