N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide

C21H23F3N2O5S — CID 169307783

IUPACN-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESCOc1cc(NC(=O)CC2CCOCC2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O5S/c1-30-18-13-16(25-20(27)11-14-7-9-31-10-8-14)5-6-19(18)32(28,29)26-17-4-2-3-15(12-17)21(22,23)24/h2-6,12-14,26H,7-11H2,1H3,(H,25,27)
InChIKeyDUZTWFYUVQSQBY-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.27
Rot. Bonds7

About N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide

N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 169307783) has the molecular formula C21H23F3N2O5S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide
PubChem CID169307783
Molecular FormulaC21H23F3N2O5S
Molecular Weight472.49 g/mol
Exact Mass472.13
IUPAC NameN-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESCOc1cc(NC(=O)CC2CCOCC2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O5S/c1-30-18-13-16(25-20(27)11-14-7-9-31-10-8-14)5-6-19(18)32(28,29)26-17-4-2-3-15(12-17)21(22,23)24/h2-6,12-14,26H,7-11H2,1H3,(H,25,27)
InChIKeyDUZTWFYUVQSQBY-UHFFFAOYSA-N
XLogP4.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[3-methoxy-4-[[3-[tris(phosphanyl)methyl]phenyl]sulfamoyl]phenyl]acetamide
CID 170338932
2-hydroxy-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169308090
(2S)-N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 169307860
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
(2S)-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]oxolane-2-carboxamide
CID 40791461
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 53094757
2-cyclopentyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 9414196

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide (CID 169307783) is N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide is COc1cc(NC(=O)CC2CCOCC2)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is DUZTWFYUVQSQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5S/c1-30-18-13-16(25-20(27)11-14-7-9-31-10-8-14)5-6-19(18)32(28,29)26-17-4-2-3-15(12-17)21(22,23)24/h2-6,12-14,26H,7-11H2,1H3,(H,25,27).
What are the key properties of N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide?
N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 472.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 169307783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).