N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide

C21H31F3N2O5S — CID 22280868

IUPACN-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCCN(CCO)C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H31F3N2O5S/c1-3-26(13-14-27)20(28)12-15-31-18-8-6-17(7-9-18)25(2)32(29,30)19-10-4-16(5-11-19)21(22,23)24/h4-5,10-11,17-18,27H,3,6-9,12-15H2,1-2H3
InChIKeyGANNLLGAUJAMNX-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.88
Rot. Bonds10

About N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide

N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (PubChem CID 22280868) has the molecular formula C21H31F3N2O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
PubChem CID22280868
Molecular FormulaC21H31F3N2O5S
Molecular Weight480.55 g/mol
Exact Mass480.19
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCCN(CCO)C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H31F3N2O5S/c1-3-26(13-14-27)20(28)12-15-31-18-8-6-17(7-9-18)25(2)32(29,30)19-10-4-16(5-11-19)21(22,23)24/h4-5,10-11,17-18,27H,3,6-9,12-15H2,1-2H3
InChIKeyGANNLLGAUJAMNX-UHFFFAOYSA-N
XLogP2.88
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (CID 22280868) is N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is CCN(CCO)C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The InChIKey is GANNLLGAUJAMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F3N2O5S/c1-3-26(13-14-27)20(28)12-15-31-18-8-6-17(7-9-18)25(2)32(29,30)19-10-4-16(5-11-19)21(22,23)24/h4-5,10-11,17-18,27H,3,6-9,12-15H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide has a molecular weight of 480.55 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is sourced from PubChem (CID 22280868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).