4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide

C19H23F3N4O5S — CID 55515797

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCc1ccc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H23F3N4O5S/c1-13-3-4-14(11-15(13)32(29,30)26-7-9-31-10-8-26)24-16(27)12-18(28,19(20,21)22)17-23-5-6-25(17)2/h3-6,11,28H,7-10,12H2,1-2H3,(H,24,27)
InChIKeyMJZPYQXPHODROO-UHFFFAOYSA-N
MW476.48 g/mol
LogP1.53
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 55515797) has the molecular formula C19H23F3N4O5S and a molecular weight of 476.48 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID55515797
Molecular FormulaC19H23F3N4O5S
Molecular Weight476.48 g/mol
Exact Mass476.13
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCc1ccc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H23F3N4O5S/c1-13-3-4-14(11-15(13)32(29,30)26-7-9-31-10-8-26)24-16(27)12-18(28,19(20,21)22)17-23-5-6-25(17)2/h3-6,11,28H,7-10,12H2,1-2H3,(H,24,27)
InChIKeyMJZPYQXPHODROO-UHFFFAOYSA-N
XLogP1.53
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 17477206
(3R)-N-(4-ethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 94018160
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150
2-[(4-chlorophenyl)methylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 16523782
3-(3,4-difluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 46686125
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
CID 7689032

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide (CID 55515797) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide is Cc1ccc(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is MJZPYQXPHODROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O5S/c1-13-3-4-14(11-15(13)32(29,30)26-7-9-31-10-8-26)24-16(27)12-18(28,19(20,21)22)17-23-5-6-25(17)2/h3-6,11,28H,7-10,12H2,1-2H3,(H,24,27).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 476.48 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 55515797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).