N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide

C16H22FN5O2S — CID 87757361

IUPACN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide
SMILES[H]N=S(C)(=O)CC(C)C(=O)N(CC)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H22FN5O2S/c1-5-21(16(23)11(2)10-25(4,18)24)15-9-22(20-12(15)3)14-6-13(17)7-19-8-14/h6-9,11,18H,5,10H2,1-4H3
InChIKeyVMHCHFYKKSYBCR-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.38
Rot. Bonds6

About N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide

N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide (PubChem CID 87757361) has the molecular formula C16H22FN5O2S and a molecular weight of 367.45 g/mol. Its IUPAC name is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide
PubChem CID87757361
Molecular FormulaC16H22FN5O2S
Molecular Weight367.45 g/mol
Exact Mass367.15
IUPAC NameN-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide
SMILES[H]N=S(C)(=O)CC(C)C(=O)N(CC)c1cn(-c2cncc(F)c2)nc1C
InChIInChI=1S/C16H22FN5O2S/c1-5-21(16(23)11(2)10-25(4,18)24)15-9-22(20-12(15)3)14-6-13(17)7-19-8-14/h6-9,11,18H,5,10H2,1-4H3
InChIKeyVMHCHFYKKSYBCR-UHFFFAOYSA-N
XLogP2.38
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide?
The IUPAC name of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide (CID 87757361) is N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide.
What is the SMILES notation for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide?
The canonical SMILES for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide is [H]N=S(C)(=O)CC(C)C(=O)N(CC)c1cn(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide?
The InChIKey is VMHCHFYKKSYBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O2S/c1-5-21(16(23)11(2)10-25(4,18)24)15-9-22(20-12(15)3)14-6-13(17)7-19-8-14/h6-9,11,18H,5,10H2,1-4H3.
What are the key properties of N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide?
N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-2-methyl-3-(methylsulfonimidoyl)propanamide is sourced from PubChem (CID 87757361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).