N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C13H15F3N2OS — CID 47155320

IUPACN-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H15F3N2OS/c1-2-18(10-4-5-10)12(19)8-20-11-6-3-9(7-17-11)13(14,15)16/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyDLAXHNQZARLHSU-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.20
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 47155320) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID47155320
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(C(=O)CSc1ccc(C(F)(F)F)cn1)C1CC1
InChIInChI=1S/C13H15F3N2OS/c1-2-18(10-4-5-10)12(19)8-20-11-6-3-9(7-17-11)13(14,15)16/h3,6-7,10H,2,4-5,8H2,1H3
InChIKeyDLAXHNQZARLHSU-UHFFFAOYSA-N
XLogP3.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 47155320) is N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is CCN(C(=O)CSc1ccc(C(F)(F)F)cn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is DLAXHNQZARLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-2-18(10-4-5-10)12(19)8-20-11-6-3-9(7-17-11)13(14,15)16/h3,6-7,10H,2,4-5,8H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 47155320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).