2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide

C19H18N2O3S2 — CID 1106052

IUPAC2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide
SMILESCCOc1ccc2nc(SCC(=O)NCC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C19H18N2O3S2/c1-2-24-14-8-9-15-17(10-14)26-19(21-15)25-12-18(23)20-11-16(22)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyCQBJHOGIUHNNKM-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.79
Rot. Bonds8

About 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide (PubChem CID 1106052) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide
PubChem CID1106052
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide
SMILESCCOc1ccc2nc(SCC(=O)NCC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C19H18N2O3S2/c1-2-24-14-8-9-15-17(10-14)26-19(21-15)25-12-18(23)20-11-16(22)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyCQBJHOGIUHNNKM-UHFFFAOYSA-N
XLogP3.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide?
The IUPAC name of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide (CID 1106052) is 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide.
What is the SMILES notation for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide?
The canonical SMILES for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide is CCOc1ccc2nc(SCC(=O)NCC(=O)c3ccccc3)sc2c1.
What is the InChIKey of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide?
The InChIKey is CQBJHOGIUHNNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-2-24-14-8-9-15-17(10-14)26-19(21-15)25-12-18(23)20-11-16(22)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,20,23).
What are the key properties of 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide?
2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide has a molecular weight of 386.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-phenacylacetamide is sourced from PubChem (CID 1106052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).