N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C17H16N2O3S — CID 767792

IUPACN-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-22-14-8-4-2-6-12(14)18-16(20)10-11-19-13-7-3-5-9-15(13)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyCZCJUJHNUSCHPD-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.10
Rot. Bonds5

About N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 767792) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID767792
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21
InChIInChI=1S/C17H16N2O3S/c1-22-14-8-4-2-6-12(14)18-16(20)10-11-19-13-7-3-5-9-15(13)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyCZCJUJHNUSCHPD-UHFFFAOYSA-N
XLogP3.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 767792) is N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is COc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21.
What is the InChIKey of N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is CZCJUJHNUSCHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-22-14-8-4-2-6-12(14)18-16(20)10-11-19-13-7-3-5-9-15(13)23-17(19)21/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 767792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).