1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone

C22H22FN3O4S2 — CID 110830453

IUPAC1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
SMILESCc1ccc(C(=O)CNc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1F
InChIInChI=1S/C22H22FN3O4S2/c1-15-2-3-17(12-19(15)23)21(27)13-24-22-25-20(14-31-22)16-4-6-18(7-5-16)32(28,29)26-8-10-30-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,25)
InChIKeyPXWMOUJHALIVMP-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.57
Rot. Bonds7

About 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone

1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone (PubChem CID 110830453) has the molecular formula C22H22FN3O4S2 and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
PubChem CID110830453
Molecular FormulaC22H22FN3O4S2
Molecular Weight475.57 g/mol
Exact Mass475.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone
SMILESCc1ccc(C(=O)CNc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1F
InChIInChI=1S/C22H22FN3O4S2/c1-15-2-3-17(12-19(15)23)21(27)13-24-22-25-20(14-31-22)16-4-6-18(7-5-16)32(28,29)26-8-10-30-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,25)
InChIKeyPXWMOUJHALIVMP-UHFFFAOYSA-N
XLogP3.57
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone with MolForge

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 26066731
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 23769072
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546
4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684
4-ethyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 30838011
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]acetamide
CID 18861351
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-(4-morpholin-4-ylsulfonylphenyl)ethanone
CID 110828479
1-(4-methoxyphenyl)-2-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanone
CID 158335726

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone (CID 110830453) is 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone is Cc1ccc(C(=O)CNc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone?
The InChIKey is PXWMOUJHALIVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S2/c1-15-2-3-17(12-19(15)23)21(27)13-24-22-25-20(14-31-22)16-4-6-18(7-5-16)32(28,29)26-8-10-30-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,25).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone?
1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone has a molecular weight of 475.57 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-2-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanone is sourced from PubChem (CID 110830453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).