N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide

C18H17ClF3N3O2S — CID 157106749

IUPACN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)CCCSc2ncc(C(F)(F)F)cc2Cl)cc(C)n1
InChIInChI=1S/C18H17ClF3N3O2S/c1-10-6-12(7-16(24-10)25-11(2)26)15(27)4-3-5-28-17-14(19)8-13(9-23-17)18(20,21)22/h6-9H,3-5H2,1-2H3,(H,24,25,26)
InChIKeyAGJRAXRDNPUCCR-UHFFFAOYSA-N
MW431.87 g/mol
LogP5.17
Rot. Bonds7

About N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide

N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide (PubChem CID 157106749) has the molecular formula C18H17ClF3N3O2S and a molecular weight of 431.87 g/mol. Its IUPAC name is N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide
PubChem CID157106749
Molecular FormulaC18H17ClF3N3O2S
Molecular Weight431.87 g/mol
Exact Mass431.07
IUPAC NameN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)CCCSc2ncc(C(F)(F)F)cc2Cl)cc(C)n1
InChIInChI=1S/C18H17ClF3N3O2S/c1-10-6-12(7-16(24-10)25-11(2)26)15(27)4-3-5-28-17-14(19)8-13(9-23-17)18(20,21)22/h6-9H,3-5H2,1-2H3,(H,24,25,26)
InChIKeyAGJRAXRDNPUCCR-UHFFFAOYSA-N
XLogP5.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.87
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]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

N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide
CID 159050031
2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide
CID 142503861
N-[4-[N'-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]carbamimidoyl]-2-pyridinyl]acetamide
CID 155416866
N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide
CID 158930033
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-6-methylpyrimidin-2-yl]acetamide
CID 158242267
2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide
CID 175146024
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine;hydrochloride
CID 43810441
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24611052
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 142503751
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-propylbutan-1-amine
CID 62578664
N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propyl]-2-methylpropan-1-amine
CID 62578481

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide (CID 157106749) is N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(C(=O)CCCSc2ncc(C(F)(F)F)cc2Cl)cc(C)n1.
What is the InChIKey of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide?
The InChIKey is AGJRAXRDNPUCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2S/c1-10-6-12(7-16(24-10)25-11(2)26)15(27)4-3-5-28-17-14(19)8-13(9-23-17)18(20,21)22/h6-9H,3-5H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide?
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide has a molecular weight of 431.87 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 157106749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).