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

C17H16N2O5S — CID 1317129

IUPACN-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-24-14-8-4-3-7-13(14)18-16(20)10-11-19-17(21)12-6-2-5-9-15(12)25(19,22)23/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyFGONZTKJLPWMHI-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.87
Rot. Bonds5

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

N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (PubChem CID 1317129) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
PubChem CID1317129
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-24-14-8-4-3-7-13(14)18-16(20)10-11-19-17(21)12-6-2-5-9-15(12)25(19,22)23/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyFGONZTKJLPWMHI-UHFFFAOYSA-N
XLogP1.87
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.87
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-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide (CID 1317129) is N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is COc1ccccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
The InChIKey is FGONZTKJLPWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-24-14-8-4-3-7-13(14)18-16(20)10-11-19-17(21)12-6-2-5-9-15(12)25(19,22)23/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide?
N-(2-methoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide has a molecular weight of 360.39 g/mol, XLogP of 1.87, 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-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 1317129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).