N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide

C20H20ClF3N2O2S — CID 24982395

IUPACN-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20ClF3N2O2S/c1-2-26(12-18(27)25-11-14-6-8-16(21)9-7-14)19(28)13-29-17-5-3-4-15(10-17)20(22,23)24/h3-10H,2,11-13H2,1H3,(H,25,27)
InChIKeyLCNBLHLYMUXTMK-UHFFFAOYSA-N
MW444.91 g/mol
LogP4.62
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide (PubChem CID 24982395) has the molecular formula C20H20ClF3N2O2S and a molecular weight of 444.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide
PubChem CID24982395
Molecular FormulaC20H20ClF3N2O2S
Molecular Weight444.91 g/mol
Exact Mass444.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20ClF3N2O2S/c1-2-26(12-18(27)25-11-14-6-8-16(21)9-7-14)19(28)13-29-17-5-3-4-15(10-17)20(22,23)24/h3-10H,2,11-13H2,1H3,(H,25,27)
InChIKeyLCNBLHLYMUXTMK-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide (CID 24982395) is N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide?
The InChIKey is LCNBLHLYMUXTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N2O2S/c1-2-26(12-18(27)25-11-14-6-8-16(21)9-7-14)19(28)13-29-17-5-3-4-15(10-17)20(22,23)24/h3-10H,2,11-13H2,1H3,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide has a molecular weight of 444.91 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 24982395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).