N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide

C20H26N2OS — CID 3605388

IUPACN-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide
SMILESCSc1nc(C(C)C)ccc1CNC(=O)CC(C)c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-14(2)18-11-10-17(20(22-18)24-4)13-21-19(23)12-15(3)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,21,23)
InChIKeyUUFXHMZKZJPGPI-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.74
Rot. Bonds7

About N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide

N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide (PubChem CID 3605388) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide
PubChem CID3605388
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide
SMILESCSc1nc(C(C)C)ccc1CNC(=O)CC(C)c1ccccc1
InChIInChI=1S/C20H26N2OS/c1-14(2)18-11-10-17(20(22-18)24-4)13-21-19(23)12-15(3)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,21,23)
InChIKeyUUFXHMZKZJPGPI-UHFFFAOYSA-N
XLogP4.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide?
The IUPAC name of N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide (CID 3605388) is N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide?
The canonical SMILES for N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide is CSc1nc(C(C)C)ccc1CNC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide?
The InChIKey is UUFXHMZKZJPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-14(2)18-11-10-17(20(22-18)24-4)13-21-19(23)12-15(3)16-8-6-5-7-9-16/h5-11,14-15H,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide?
N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide has a molecular weight of 342.51 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfanyl-6-propan-2-yl-3-pyridinyl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 3605388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).