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

C17H14ClF4N3O2S — CID 2540946

IUPAC2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H14ClF4N3O2S/c1-25(8-14(26)24-12-4-2-11(19)3-5-12)15(27)9-28-16-13(18)6-10(7-23-16)17(20,21)22/h2-7H,8-9H2,1H3,(H,24,26)
InChIKeyRPDWWHFYDPWVJF-UHFFFAOYSA-N
MW435.83 g/mol
LogP4.08
Rot. Bonds6

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

2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 2540946) has the molecular formula C17H14ClF4N3O2S and a molecular weight of 435.83 g/mol. Its IUPAC name is 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID2540946
Molecular FormulaC17H14ClF4N3O2S
Molecular Weight435.83 g/mol
Exact Mass435.04
IUPAC Name2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H14ClF4N3O2S/c1-25(8-14(26)24-12-4-2-11(19)3-5-12)15(27)9-28-16-13(18)6-10(7-23-16)17(20,21)22/h2-7H,8-9H2,1H3,(H,24,26)
InChIKeyRPDWWHFYDPWVJF-UHFFFAOYSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3300381
N-(4-fluorophenyl)-2-[methyl-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]acetamide
CID 7785109
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 7225853
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 2388407
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-prop-2-ynylacetamide
CID 3252119
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8680520
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277708
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 2484296
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 8503139
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 42899066
N-(4-fluorophenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 2824729

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide (CID 2540946) is 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is RPDWWHFYDPWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N3O2S/c1-25(8-14(26)24-12-4-2-11(19)3-5-12)15(27)9-28-16-13(18)6-10(7-23-16)17(20,21)22/h2-7H,8-9H2,1H3,(H,24,26).
What are the key properties of 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide?
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 435.83 g/mol, XLogP of 4.08, 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-fluorophenyl)acetamide is sourced from PubChem (CID 2540946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).