N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

C21H23F3N2O6S — CID 43077650

IUPACN-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C21H23F3N2O6S/c1-15(31-14-21(22,23)24)20(27)25-18-13-17(33(28,29)26-9-11-30-12-10-26)7-8-19(18)32-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,27)
InChIKeyRKYUDLNOSARGTL-UHFFFAOYSA-N
MW488.48 g/mol
LogP3.41
Rot. Bonds8

About N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43077650) has the molecular formula C21H23F3N2O6S and a molecular weight of 488.48 g/mol. Its IUPAC name is N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43077650
Molecular FormulaC21H23F3N2O6S
Molecular Weight488.48 g/mol
Exact Mass488.12
IUPAC NameN-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1
InChIInChI=1S/C21H23F3N2O6S/c1-15(31-14-21(22,23)24)20(27)25-18-13-17(33(28,29)26-9-11-30-12-10-26)7-8-19(18)32-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,27)
InChIKeyRKYUDLNOSARGTL-UHFFFAOYSA-N
XLogP3.41
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 46511334
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide
CID 8746910
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)acetamide
CID 30994022
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonyl-N-propan-2-ylaniline
CID 112811144
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
N-[2-(4-fluorophenoxy)-5-morpholin-4-ylsulfonylphenyl]-3-methylbut-2-enamide
CID 30659876
(2S)-N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38938290
(2R)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)butanamide
CID 94016517

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 43077650) is N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is RKYUDLNOSARGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O6S/c1-15(31-14-21(22,23)24)20(27)25-18-13-17(33(28,29)26-9-11-30-12-10-26)7-8-19(18)32-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,27).
What are the key properties of N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 488.48 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylsulfonyl-2-phenoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43077650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).