2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

C18H17ClF3N3O2S — CID 4967439

IUPAC2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C18H17ClF3N3O2S/c1-11-3-5-13(6-4-11)24-15(26)9-25(2)16(27)10-28-17-14(19)7-12(8-23-17)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,24,26)
InChIKeyGFLDACKAJNFMOY-UHFFFAOYSA-N
MW431.87 g/mol
LogP4.25
Rot. Bonds6

About 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 4967439) has the molecular formula C18H17ClF3N3O2S and a molecular weight of 431.87 g/mol. Its IUPAC name is 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID4967439
Molecular FormulaC18H17ClF3N3O2S
Molecular Weight431.87 g/mol
Exact Mass431.07
IUPAC Name2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C18H17ClF3N3O2S/c1-11-3-5-13(6-4-11)24-15(26)9-25(2)16(27)10-28-17-14(19)7-12(8-23-17)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,24,26)
InChIKeyGFLDACKAJNFMOY-UHFFFAOYSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 57388872
CID 57388872
CID 2230067
CID 2230067
CID 2267370
CID 2267370
CID 3594010
CID 3594010
CID 4834371
CID 4834371
CID 4453669
CID 4453669
CID 57328869
CID 57328869
CID 24900570
CID 24900570
CID 2418741
CID 2418741
CID 16546543
CID 16546543
CID 2468387
CID 2468387
CID 2745328
CID 2745328

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 4967439) is 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is GFLDACKAJNFMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2S/c1-11-3-5-13(6-4-11)24-15(26)9-25(2)16(27)10-28-17-14(19)7-12(8-23-17)18(20,21)22/h3-8H,9-10H2,1-2H3,(H,24,26).
What are the key properties of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 431.87 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4967439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).