N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide

C20H29F3N2O3S — CID 51040085

IUPACN-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide
SMILESCN(C(=O)CNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(C)(C)C
InChIInChI=1S/C20H29F3N2O3S/c1-19(2,3)25(4)18(26)13-24-15-8-10-16(11-9-15)29(27,28)17-7-5-6-14(12-17)20(21,22)23/h5-7,12,15-16,24H,8-11,13H2,1-4H3
InChIKeyAHCRVPBYQXNSQI-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.64
Rot. Bonds5

About N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide

N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide (PubChem CID 51040085) has the molecular formula C20H29F3N2O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide
PubChem CID51040085
Molecular FormulaC20H29F3N2O3S
Molecular Weight434.52 g/mol
Exact Mass434.19
IUPAC NameN-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide
SMILESCN(C(=O)CNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(C)(C)C
InChIInChI=1S/C20H29F3N2O3S/c1-19(2,3)25(4)18(26)13-24-15-8-10-16(11-9-15)29(27,28)17-7-5-6-14(12-17)20(21,22)23/h5-7,12,15-16,24H,8-11,13H2,1-4H3
InChIKeyAHCRVPBYQXNSQI-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide?
The IUPAC name of N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide (CID 51040085) is N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide is CN(C(=O)CNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide?
The InChIKey is AHCRVPBYQXNSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3S/c1-19(2,3)25(4)18(26)13-24-15-8-10-16(11-9-15)29(27,28)17-7-5-6-14(12-17)20(21,22)23/h5-7,12,15-16,24H,8-11,13H2,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide?
N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide is sourced from PubChem (CID 51040085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).