N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C23H27F3N2O3S — CID 3546046

IUPACN-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O3S/c1-17(18-9-4-2-5-10-18)28(16-22(29)27-20-12-6-3-7-13-20)32(30,31)21-14-8-11-19(15-21)23(24,25)26/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3,(H,27,29)
InChIKeyMFTIYQNDXGKMMQ-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.91
Rot. Bonds7

About N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 3546046) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID3546046
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC NameN-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESCC(c1ccccc1)N(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O3S/c1-17(18-9-4-2-5-10-18)28(16-22(29)27-20-12-6-3-7-13-20)32(30,31)21-14-8-11-19(15-21)23(24,25)26/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3,(H,27,29)
InChIKeyMFTIYQNDXGKMMQ-UHFFFAOYSA-N
XLogP4.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]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-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 3546046) is N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is CC(c1ccccc1)N(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is MFTIYQNDXGKMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c1-17(18-9-4-2-5-10-18)28(16-22(29)27-20-12-6-3-7-13-20)32(30,31)21-14-8-11-19(15-21)23(24,25)26/h2,4-5,8-11,14-15,17,20H,3,6-7,12-13,16H2,1H3,(H,27,29).
What are the key properties of N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 468.54 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-phenylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 3546046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).