2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide

C22H23N3O6S2 — CID 1236902

IUPAC2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H23N3O6S2/c1-29-19-4-2-3-5-20(19)31-14-21(26)24-22-23-18(15-32-22)16-6-8-17(9-7-16)33(27,28)25-10-12-30-13-11-25/h2-9,15H,10-14H2,1H3,(H,23,24,26)
InChIKeyICAZZASBSTUBJI-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.86
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1236902) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1236902
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC Name2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C22H23N3O6S2/c1-29-19-4-2-3-5-20(19)31-14-21(26)24-22-23-18(15-32-22)16-6-8-17(9-7-16)33(27,28)25-10-12-30-13-11-25/h2-9,15H,10-14H2,1H3,(H,23,24,26)
InChIKeyICAZZASBSTUBJI-UHFFFAOYSA-N
XLogP2.86
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (CID 1236902) is 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccccc1OCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ICAZZASBSTUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-29-19-4-2-3-5-20(19)31-14-21(26)24-22-23-18(15-32-22)16-6-8-17(9-7-16)33(27,28)25-10-12-30-13-11-25/h2-9,15H,10-14H2,1H3,(H,23,24,26).
What are the key properties of 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1236902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).