(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide

C15H16N2O2S — CID 95149640

IUPAC(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide
SMILESCS[C@@H](C)C(=O)Nc1cnccc1Oc1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(20-2)15(18)17-13-10-16-9-8-14(13)19-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyKNADGLAKKFLILL-NSHDSACASA-N
MW288.37 g/mol
LogP3.56
Rot. Bonds5

About (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide

(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide (PubChem CID 95149640) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide
PubChem CID95149640
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide
SMILESCS[C@@H](C)C(=O)Nc1cnccc1Oc1ccccc1
InChIInChI=1S/C15H16N2O2S/c1-11(20-2)15(18)17-13-10-16-9-8-14(13)19-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyKNADGLAKKFLILL-NSHDSACASA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide?
The IUPAC name of (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide (CID 95149640) is (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide is CS[C@@H](C)C(=O)Nc1cnccc1Oc1ccccc1.
What is the InChIKey of (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide?
The InChIKey is KNADGLAKKFLILL-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(20-2)15(18)17-13-10-16-9-8-14(13)19-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide?
(2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide has a molecular weight of 288.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfanyl-N-(4-phenoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 95149640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).