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

C22H34F3N3O4S — CID 11317890

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCN(C)CCN(C)C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H34F3N3O4S/c1-26(2)14-15-27(3)21(29)13-16-32-19-9-7-18(8-10-19)28(4)33(30,31)20-11-5-17(6-12-20)22(23,24)25/h5-6,11-12,18-19H,7-10,13-16H2,1-4H3
InChIKeyPNAAKYCHJZRQML-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.06
Rot. Bonds10

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

N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (PubChem CID 11317890) has the molecular formula C22H34F3N3O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
PubChem CID11317890
Molecular FormulaC22H34F3N3O4S
Molecular Weight493.59 g/mol
Exact Mass493.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide
SMILESCN(C)CCN(C)C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H34F3N3O4S/c1-26(2)14-15-27(3)21(29)13-16-32-19-9-7-18(8-10-19)28(4)33(30,31)20-11-5-17(6-12-20)22(23,24)25/h5-6,11-12,18-19H,7-10,13-16H2,1-4H3
InChIKeyPNAAKYCHJZRQML-UHFFFAOYSA-N
XLogP3.06
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide (CID 11317890) is N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is CN(C)CCN(C)C(=O)CCOC1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
The InChIKey is PNAAKYCHJZRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F3N3O4S/c1-26(2)14-15-27(3)21(29)13-16-32-19-9-7-18(8-10-19)28(4)33(30,31)20-11-5-17(6-12-20)22(23,24)25/h5-6,11-12,18-19H,7-10,13-16H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide?
N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide has a molecular weight of 493.59 g/mol, XLogP of 3.06, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexyl]oxypropanamide is sourced from PubChem (CID 11317890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).