2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide

C19H20N2O2S — CID 43012669

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)COCc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-14(15-7-3-2-4-8-15)11-20-18(22)12-23-13-19-21-16-9-5-6-10-17(16)24-19/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyNBZCZHVKWQLYKC-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.73
Rot. Bonds7

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide (PubChem CID 43012669) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
PubChem CID43012669
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)COCc1nc2ccccc2s1)c1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-14(15-7-3-2-4-8-15)11-20-18(22)12-23-13-19-21-16-9-5-6-10-17(16)24-19/h2-10,14H,11-13H2,1H3,(H,20,22)
InChIKeyNBZCZHVKWQLYKC-UHFFFAOYSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 7906285
2-(1,3-benzothiazol-2-ylmethoxy)-N-(cyclopropylmethyl)acetamide
CID 24667090
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 24641656
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 24646425
2-ethoxy-N-(2-phenylpropyl)acetamide
CID 60637427
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-phenylpropyl)propanamide
CID 55409063
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-phenylbutanamide
CID 46432534
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-thiophen-3-ylethyl)acetamide
CID 46399966
2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]-N-cyclopropylacetamide
CID 18163807
[2-oxo-2-(propylamino)ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 8519188
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide (CID 43012669) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide is CC(CNC(=O)COCc1nc2ccccc2s1)c1ccccc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide?
The InChIKey is NBZCZHVKWQLYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14(15-7-3-2-4-8-15)11-20-18(22)12-23-13-19-21-16-9-5-6-10-17(16)24-19/h2-10,14H,11-13H2,1H3,(H,20,22).
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 43012669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).