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

C21H20ClN3O5S2 — CID 980197

IUPAC2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C21H20ClN3O5S2/c22-16-3-5-17(6-4-16)30-13-20(26)24-21-23-19(14-31-21)15-1-7-18(8-2-15)32(27,28)25-9-11-29-12-10-25/h1-8,14H,9-13H2,(H,23,24,26)
InChIKeyLYYRGOXPVYERAH-UHFFFAOYSA-N
MW493.99 g/mol
LogP3.50
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 980197) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID980197
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC Name2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C21H20ClN3O5S2/c22-16-3-5-17(6-4-16)30-13-20(26)24-21-23-19(14-31-21)15-1-7-18(8-2-15)32(27,28)25-9-11-29-12-10-25/h1-8,14H,9-13H2,(H,23,24,26)
InChIKeyLYYRGOXPVYERAH-UHFFFAOYSA-N
XLogP3.50
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-phenoxyacetamide
CID 658973
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}acetamide
CID 1236902
3-methoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1290059
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
N-[4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide
CID 2947587
2-(2-methoxyphenoxy)-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
CID 2948660
2-(4-chlorophenoxy)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 4432169
N-[5-(4-chlorophenoxy)-4-phenyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 57521299
2-(4-chloro-2-methylphenoxy)-N-[4-(2-thienyl)-1,3-thiazol-2-yl]acetamide
CID 1291535
2-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2348603
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
CID 2382050
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2460030

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide (CID 980197) is 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LYYRGOXPVYERAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c22-16-3-5-17(6-4-16)30-13-20(26)24-21-23-19(14-31-21)15-1-7-18(8-2-15)32(27,28)25-9-11-29-12-10-25/h1-8,14H,9-13H2,(H,23,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 493.99 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 980197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).