2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide

C18H17ClN2O3S — CID 24548350

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3S/c19-13-5-7-14(8-6-13)24-10-9-20-17(22)11-23-12-18-21-15-3-1-2-4-16(15)25-18/h1-8H,9-12H2,(H,20,22)
InChIKeyXNZKZWCBPQHFBZ-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.66
Rot. Bonds8

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide (PubChem CID 24548350) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
PubChem CID24548350
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(COCc1nc2ccccc2s1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3S/c19-13-5-7-14(8-6-13)24-10-9-20-17(22)11-23-12-18-21-15-3-1-2-4-16(15)25-18/h1-8H,9-12H2,(H,20,22)
InChIKeyXNZKZWCBPQHFBZ-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935081
3-(1,3-benzothiazol-2-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9366484
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-phenylmethoxyphenoxy)acetyl]acetohydrazide
CID 24538886
2-(1,3-benzothiazol-2-ylmethoxy)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 9324359
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-thiophen-3-ylethyl)acetamide
CID 46399966
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
[2-oxo-2-(propylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 8519188
N-[2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]ethyl]furan-2-carboxamide
CID 43049275
2-(1,3-benzothiazol-2-ylmethoxy)-N'-(3,4-dichlorophenyl)acetohydrazide
CID 39966204
3-(1,3-benzothiazol-2-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 112792748
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide (CID 24548350) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide is O=C(COCc1nc2ccccc2s1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The InChIKey is XNZKZWCBPQHFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-13-5-7-14(8-6-13)24-10-9-20-17(22)11-23-12-18-21-15-3-1-2-4-16(15)25-18/h1-8H,9-12H2,(H,20,22).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide has a molecular weight of 376.87 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(4-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 24548350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).