N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide

C24H35F3N2O5S — CID 22280847

IUPACN-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCN(C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)C1CCC(O)CC1
InChIInChI=1S/C24H35F3N2O5S/c1-28(18-5-9-20(30)10-6-18)23(31)15-16-34-21-11-7-19(8-12-21)29(2)35(32,33)22-13-3-17(4-14-22)24(25,26)27/h3-4,13-14,18-21,30H,5-12,15-16H2,1-2H3
InChIKeyLPVJLRFKEOUPPR-UHFFFAOYSA-N
MW520.61 g/mol
LogP3.81
Rot. Bonds8

About N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide

N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (PubChem CID 22280847) has the molecular formula C24H35F3N2O5S and a molecular weight of 520.61 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
PubChem CID22280847
Molecular FormulaC24H35F3N2O5S
Molecular Weight520.61 g/mol
Exact Mass520.22
IUPAC NameN-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCN(C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)C1CCC(O)CC1
InChIInChI=1S/C24H35F3N2O5S/c1-28(18-5-9-20(30)10-6-18)23(31)15-16-34-21-11-7-19(8-12-21)29(2)35(32,33)22-13-3-17(4-14-22)24(25,26)27/h3-4,13-14,18-21,30H,5-12,15-16H2,1-2H3
InChIKeyLPVJLRFKEOUPPR-UHFFFAOYSA-N
XLogP3.81
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (CID 22280847) is N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is CN(C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)C1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The InChIKey is LPVJLRFKEOUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3N2O5S/c1-28(18-5-9-20(30)10-6-18)23(31)15-16-34-21-11-7-19(8-12-21)29(2)35(32,33)22-13-3-17(4-14-22)24(25,26)27/h3-4,13-14,18-21,30H,5-12,15-16H2,1-2H3.
What are the key properties of N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide has a molecular weight of 520.61 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is sourced from PubChem (CID 22280847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).