N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide

C17H14Cl2F3N3O2S — CID 2107692

IUPACN-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H14Cl2F3N3O2S/c1-25(8-14(26)24-13-5-3-2-4-11(13)18)15(27)9-28-16-12(19)6-10(7-23-16)17(20,21)22/h2-7H,8-9H2,1H3,(H,24,26)
InChIKeyUGBDPYMTZVUXPR-UHFFFAOYSA-N
MW452.29 g/mol
LogP4.60
Rot. Bonds6

About N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide (PubChem CID 2107692) has the molecular formula C17H14Cl2F3N3O2S and a molecular weight of 452.29 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide
PubChem CID2107692
Molecular FormulaC17H14Cl2F3N3O2S
Molecular Weight452.29 g/mol
Exact Mass451.01
IUPAC NameN-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H14Cl2F3N3O2S/c1-25(8-14(26)24-13-5-3-2-4-11(13)18)15(27)9-28-16-12(19)6-10(7-23-16)17(20,21)22/h2-7H,8-9H2,1H3,(H,24,26)
InChIKeyUGBDPYMTZVUXPR-UHFFFAOYSA-N
XLogP4.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]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-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide (CID 2107692) is N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide?
The InChIKey is UGBDPYMTZVUXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2F3N3O2S/c1-25(8-14(26)24-13-5-3-2-4-11(13)18)15(27)9-28-16-12(19)6-10(7-23-16)17(20,21)22/h2-7H,8-9H2,1H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide has a molecular weight of 452.29 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]acetamide is sourced from PubChem (CID 2107692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).