2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide

C15H15F5N2OS — CID 129165018

IUPAC2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide
SMILESCC(C)C(=O)N(c1ccccc1)c1ccc(S(F)(F)(F)(F)F)nc1
InChIInChI=1S/C15H15F5N2OS/c1-11(2)15(23)22(12-6-4-3-5-7-12)13-8-9-14(21-10-13)24(16,17,18,19)20/h3-11H,1-2H3
InChIKeyZTTVPWFZPURLBF-UHFFFAOYSA-N
MW366.36 g/mol
LogP6.06
Rot. Bonds4

About 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide

2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide (PubChem CID 129165018) has the molecular formula C15H15F5N2OS and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide
PubChem CID129165018
Molecular FormulaC15H15F5N2OS
Molecular Weight366.36 g/mol
Exact Mass366.08
IUPAC Name2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide
SMILESCC(C)C(=O)N(c1ccccc1)c1ccc(S(F)(F)(F)(F)F)nc1
InChIInChI=1S/C15H15F5N2OS/c1-11(2)15(23)22(12-6-4-3-5-7-12)13-8-9-14(21-10-13)24(16,17,18,19)20/h3-11H,1-2H3
InChIKeyZTTVPWFZPURLBF-UHFFFAOYSA-N
XLogP6.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[N-(2-methylpropanoyl)anilino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide?
The IUPAC name of 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide (CID 129165018) is 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide?
The canonical SMILES for 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide is CC(C)C(=O)N(c1ccccc1)c1ccc(S(F)(F)(F)(F)F)nc1.
What is the InChIKey of 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide?
The InChIKey is ZTTVPWFZPURLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F5N2OS/c1-11(2)15(23)22(12-6-4-3-5-7-12)13-8-9-14(21-10-13)24(16,17,18,19)20/h3-11H,1-2H3.
What are the key properties of 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide?
2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide has a molecular weight of 366.36 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(pentafluoro-λ6-sulfanyl)-3-pyridinyl]-N-phenylpropanamide is sourced from PubChem (CID 129165018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).