N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide

C23H28N2O6S — CID 142525643

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO
InChIInChI=1S/C23H28N2O6S/c1-17(27)24-20-16-18(23-25-19-4-2-3-5-22(19)32-23)6-7-21(20)31-15-14-30-13-12-29-11-10-28-9-8-26/h2-7,16,26H,8-15H2,1H3,(H,24,27)
InChIKeyOMDMOQPBWZCPGA-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.34
Rot. Bonds14

About N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide

N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide (PubChem CID 142525643) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide
PubChem CID142525643
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO
InChIInChI=1S/C23H28N2O6S/c1-17(27)24-20-16-18(23-25-19-4-2-3-5-22(19)32-23)6-7-21(20)31-15-14-30-13-12-29-11-10-28-9-8-26/h2-7,16,26H,8-15H2,1H3,(H,24,27)
InChIKeyOMDMOQPBWZCPGA-UHFFFAOYSA-N
XLogP3.34
TPSA99.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 142525652
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-methylpropanamide
CID 3744571
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257870
(E)-N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-3-phenylprop-2-enamide
CID 17096522
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,4-dimethoxybenzamide
CID 1048170
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1348850
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 141369709
2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 102361398
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-(4-ethylphenoxy)acetamide
CID 4508681
N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-3-butoxybenzamide
CID 4508371
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide (CID 142525643) is N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide is CC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide?
The InChIKey is OMDMOQPBWZCPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-17(27)24-20-16-18(23-25-19-4-2-3-5-22(19)32-23)6-7-21(20)31-15-14-30-13-12-29-11-10-28-9-8-26/h2-7,16,26H,8-15H2,1H3,(H,24,27).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide?
N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide has a molecular weight of 460.55 g/mol, XLogP of 3.34, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide is sourced from PubChem (CID 142525643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).