N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide

C17H18F3N3O3S — CID 24855686

IUPACN-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C17H18F3N3O3S/c1-4-11-7-8-21-14(9-11)23-15(24)16(2,3)27(25,26)12-5-6-13(22-10-12)17(18,19)20/h5-10H,4H2,1-3H3,(H,21,23,24)
InChIKeyQWYSEHAMLWSTNV-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.25
Rot. Bonds5

About N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide

N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (PubChem CID 24855686) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound NameN-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
PubChem CID24855686
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC NameN-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
SMILESCCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C17H18F3N3O3S/c1-4-11-7-8-21-14(9-11)23-15(24)16(2,3)27(25,26)12-5-6-13(22-10-12)17(18,19)20/h5-10H,4H2,1-3H3,(H,21,23,24)
InChIKeyQWYSEHAMLWSTNV-UHFFFAOYSA-N
XLogP3.25
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The IUPAC name of N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide (CID 24855686) is N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is CCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
The InChIKey is QWYSEHAMLWSTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-4-11-7-8-21-14(9-11)23-15(24)16(2,3)27(25,26)12-5-6-13(22-10-12)17(18,19)20/h5-10H,4H2,1-3H3,(H,21,23,24).
What are the key properties of N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide?
N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide has a molecular weight of 401.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-pyridinyl)-2-methyl-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 24855686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).