N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide

C20H29F3N2O5S — CID 22280843

IUPACN-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCC(CO)NC(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H29F3N2O5S/c1-14(13-26)24-19(27)11-12-30-17-7-5-16(6-8-17)25(2)31(28,29)18-9-3-15(4-10-18)20(21,22)23/h3-4,9-10,14,16-17,26H,5-8,11-13H2,1-2H3,(H,24,27)
InChIKeyWBSFPKCTYKJKEI-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.54
Rot. Bonds9

About N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide

N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (PubChem CID 22280843) has the molecular formula C20H29F3N2O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
PubChem CID22280843
Molecular FormulaC20H29F3N2O5S
Molecular Weight466.52 g/mol
Exact Mass466.17
IUPAC NameN-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCC(CO)NC(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H29F3N2O5S/c1-14(13-26)24-19(27)11-12-30-17-7-5-16(6-8-17)25(2)31(28,29)18-9-3-15(4-10-18)20(21,22)23/h3-4,9-10,14,16-17,26H,5-8,11-13H2,1-2H3,(H,24,27)
InChIKeyWBSFPKCTYKJKEI-UHFFFAOYSA-N
XLogP2.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 164610668
CID 164610668
CID 164609032
CID 164609032
CID 164617028
CID 164617028
CID 14763045
CID 14763045
CID 54638800
CID 54638800
CID 54638516
CID 54638516
CID 54638517
CID 54638517
CID 54638518
CID 54638518
CID 54638519
CID 54638519
CID 54638520
CID 54638520
CID 54638521
CID 54638521
CID 54638522
CID 54638522

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (CID 22280843) is N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is CC(CO)NC(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The InChIKey is WBSFPKCTYKJKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O5S/c1-14(13-26)24-19(27)11-12-30-17-7-5-16(6-8-17)25(2)31(28,29)18-9-3-15(4-10-18)20(21,22)23/h3-4,9-10,14,16-17,26H,5-8,11-13H2,1-2H3,(H,24,27).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide has a molecular weight of 466.52 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is sourced from PubChem (CID 22280843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).