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

C21H31F3N2O5S — CID 69343320

IUPACN-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide
SMILESCCC(CC(=O)NCCO)OC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H31F3N2O5S/c1-3-17(14-20(28)25-12-13-27)31-18-8-6-16(7-9-18)26(2)32(29,30)19-10-4-15(5-11-19)21(22,23)24/h4-5,10-11,16-18,27H,3,6-9,12-14H2,1-2H3,(H,25,28)
InChIKeyYAECZSSBJCXHCV-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.93
Rot. Bonds10

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

N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide (PubChem CID 69343320) has the molecular formula C21H31F3N2O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide
PubChem CID69343320
Molecular FormulaC21H31F3N2O5S
Molecular Weight480.55 g/mol
Exact Mass480.19
IUPAC NameN-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide
SMILESCCC(CC(=O)NCCO)OC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C21H31F3N2O5S/c1-3-17(14-20(28)25-12-13-27)31-18-8-6-16(7-9-18)26(2)32(29,30)19-10-4-15(5-11-19)21(22,23)24/h4-5,10-11,16-18,27H,3,6-9,12-14H2,1-2H3,(H,25,28)
InChIKeyYAECZSSBJCXHCV-UHFFFAOYSA-N
XLogP2.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide (CID 69343320) is N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide is CCC(CC(=O)NCCO)OC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide?
The InChIKey is YAECZSSBJCXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F3N2O5S/c1-3-17(14-20(28)25-12-13-27)31-18-8-6-16(7-9-18)26(2)32(29,30)19-10-4-15(5-11-19)21(22,23)24/h4-5,10-11,16-18,27H,3,6-9,12-14H2,1-2H3,(H,25,28).
What are the key properties of N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide?
N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide has a molecular weight of 480.55 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypentanamide is sourced from PubChem (CID 69343320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).