2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H21N3O5S2 — CID 2125206

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O5S2/c1-12-11-26-17(18-12)19-16(21)10-13-3-4-14(24-2)15(9-13)27(22,23)20-5-7-25-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21)
InChIKeyWGFUUWJVFSCONQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.66
Rot. Bonds6

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2125206) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2125206
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H21N3O5S2/c1-12-11-26-17(18-12)19-16(21)10-13-3-4-14(24-2)15(9-13)27(22,23)20-5-7-25-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21)
InChIKeyWGFUUWJVFSCONQ-UHFFFAOYSA-N
XLogP1.66
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 2125206) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is WGFUUWJVFSCONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-12-11-26-17(18-12)19-16(21)10-13-3-4-14(24-2)15(9-13)27(22,23)20-5-7-25-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 411.51 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2125206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).