2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C17H16ClF3N2O2S — CID 112841937

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C2CC2)o1
InChIInChI=1S/C17H16ClF3N2O2S/c1-10-2-5-13(25-10)8-23(12-3-4-12)15(24)9-26-16-14(18)6-11(7-22-16)17(19,20)21/h2,5-7,12H,3-4,8-9H2,1H3
InChIKeyLNZWZVUWHIQJIX-UHFFFAOYSA-N
MW404.84 g/mol
LogP4.94
Rot. Bonds6

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 112841937) has the molecular formula C17H16ClF3N2O2S and a molecular weight of 404.84 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID112841937
Molecular FormulaC17H16ClF3N2O2S
Molecular Weight404.84 g/mol
Exact Mass404.06
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C2CC2)o1
InChIInChI=1S/C17H16ClF3N2O2S/c1-10-2-5-13(25-10)8-23(12-3-4-12)15(24)9-26-16-14(18)6-11(7-22-16)17(19,20)21/h2,5-7,12H,3-4,8-9H2,1H3
InChIKeyLNZWZVUWHIQJIX-UHFFFAOYSA-N
XLogP4.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.84
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 112841937) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C2CC2)o1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is LNZWZVUWHIQJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2S/c1-10-2-5-13(25-10)8-23(12-3-4-12)15(24)9-26-16-14(18)6-11(7-22-16)17(19,20)21/h2,5-7,12H,3-4,8-9H2,1H3.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 404.84 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 112841937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).