N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide

C12H15F3N2O3S — CID 167780681

IUPACN-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide
SMILESCCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3S/c1-3-16-11(18)8(2)21(19,20)7-10-5-4-9(6-17-10)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyGOTBOARTORLSJS-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.54
Rot. Bonds5

About N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide

N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide (PubChem CID 167780681) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide
PubChem CID167780681
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide
SMILESCCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H15F3N2O3S/c1-3-16-11(18)8(2)21(19,20)7-10-5-4-9(6-17-10)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyGOTBOARTORLSJS-UHFFFAOYSA-N
XLogP1.54
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide?
The IUPAC name of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide (CID 167780681) is N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide.
What is the SMILES notation for N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide?
The canonical SMILES for N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide is CCNC(=O)C(C)S(=O)(=O)Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide?
The InChIKey is GOTBOARTORLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-3-16-11(18)8(2)21(19,20)7-10-5-4-9(6-17-10)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide?
N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide has a molecular weight of 324.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]propanamide is sourced from PubChem (CID 167780681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).