N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

C19H19N3O7S2 — CID 1304600

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O7S2/c23-18(13-22-19(24)16-3-1-2-4-17(16)31(22,27)28)20-14-5-7-15(8-6-14)30(25,26)21-9-11-29-12-10-21/h1-8H,9-13H2,(H,20,23)
InChIKeyKGLDEAVWWFHGCK-UHFFFAOYSA-N
MW465.51 g/mol
LogP0.49
Rot. Bonds5

About N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (PubChem CID 1304600) has the molecular formula C19H19N3O7S2 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
PubChem CID1304600
Molecular FormulaC19H19N3O7S2
Molecular Weight465.51 g/mol
Exact Mass465.07
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H19N3O7S2/c23-18(13-22-19(24)16-3-1-2-4-17(16)31(22,27)28)20-14-5-7-15(8-6-14)30(25,26)21-9-11-29-12-10-21/h1-8H,9-13H2,(H,20,23)
InChIKeyKGLDEAVWWFHGCK-UHFFFAOYSA-N
XLogP0.49
TPSA130.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide (CID 1304600) is N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
The InChIKey is KGLDEAVWWFHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7S2/c23-18(13-22-19(24)16-3-1-2-4-17(16)31(22,27)28)20-14-5-7-15(8-6-14)30(25,26)21-9-11-29-12-10-21/h1-8H,9-13H2,(H,20,23).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide has a molecular weight of 465.51 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 1304600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).