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

C21H22N4O5S2 — CID 55386814

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O5S2/c1-29-18-5-4-16(11-19(18)32(27,28)25-7-9-30-10-8-25)23-20(26)12-17-14-31-21(24-17)15-3-2-6-22-13-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,23,26)
InChIKeyVNXWJFMCYPPWJE-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.42
Rot. Bonds7

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

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55386814) has the molecular formula C21H22N4O5S2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55386814
Molecular FormulaC21H22N4O5S2
Molecular Weight474.56 g/mol
Exact Mass474.10
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O5S2/c1-29-18-5-4-16(11-19(18)32(27,28)25-7-9-30-10-8-25)23-20(26)12-17-14-31-21(24-17)15-3-2-6-22-13-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,23,26)
InChIKeyVNXWJFMCYPPWJE-UHFFFAOYSA-N
XLogP2.42
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386608
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55388199
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4839878
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329941
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55388414
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55386814) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is COc1ccc(NC(=O)Cc2csc(-c3cccnc3)n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VNXWJFMCYPPWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S2/c1-29-18-5-4-16(11-19(18)32(27,28)25-7-9-30-10-8-25)23-20(26)12-17-14-31-21(24-17)15-3-2-6-22-13-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,23,26).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 474.56 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55386814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).