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

C17H15ClN2O2S2 — CID 619665

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2S2/c18-12-5-7-13(8-6-12)22-10-9-19-16(21)11-23-17-20-14-3-1-2-4-15(14)24-17/h1-8H,9-11H2,(H,19,21)
InChIKeyWNNUWUFOKCHTRP-UHFFFAOYSA-N
MW378.91 g/mol
LogP4.24
Rot. Bonds7

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

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide (PubChem CID 619665) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
PubChem CID619665
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide
SMILESO=C(CSc1nc2ccccc2s1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2S2/c18-12-5-7-13(8-6-12)22-10-9-19-16(21)11-23-17-20-14-3-1-2-4-15(14)24-17/h1-8H,9-11H2,(H,19,21)
InChIKeyWNNUWUFOKCHTRP-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide (CID 619665) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide is O=C(CSc1nc2ccccc2s1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
The InChIKey is WNNUWUFOKCHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c18-12-5-7-13(8-6-12)22-10-9-19-16(21)11-23-17-20-14-3-1-2-4-15(14)24-17/h1-8H,9-11H2,(H,19,21).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide has a molecular weight of 378.91 g/mol, XLogP of 4.24, 7 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-ylsulfanyl)-N-[2-(4-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 619665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).