N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C17H16N2O5S — CID 1085692

IUPACN-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-24-14-8-4-2-6-12(14)10-18-16(20)11-19-17(21)13-7-3-5-9-15(13)25(19,22)23/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyBKBILOAPTOSGRM-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.16
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 1085692) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID1085692
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O
InChIInChI=1S/C17H16N2O5S/c1-24-14-8-4-2-6-12(14)10-18-16(20)11-19-17(21)13-7-3-5-9-15(13)25(19,22)23/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyBKBILOAPTOSGRM-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 1085692) is N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is COc1ccccc1CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is BKBILOAPTOSGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-24-14-8-4-2-6-12(14)10-18-16(20)11-19-17(21)13-7-3-5-9-15(13)25(19,22)23/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 360.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1085692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).