2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide

C18H22N2OS — CID 143651838

IUPAC2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide
SMILESCC(C)SC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C18H22N2OS/c1-13(2)22-18(3,4)17(21)20-16-11-10-15(12-19-16)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,19,20,21)
InChIKeyLVXRXQVNHUTPCU-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.61
Rot. Bonds5

About 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide

2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide (PubChem CID 143651838) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide
PubChem CID143651838
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide
SMILESCC(C)SC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C18H22N2OS/c1-13(2)22-18(3,4)17(21)20-16-11-10-15(12-19-16)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,19,20,21)
InChIKeyLVXRXQVNHUTPCU-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-phenyl-2-pyridinyl)carbamic acid
CID 69225879
1,1-diethyl-3-(5-phenyl-2-pyridinyl)urea
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CID 90935995
2-(4-acetamidophenyl)sulfanyl-N-(5-phenyl-2-pyridinyl)propanamide
CID 55951430
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
2-(4-fluorophenyl)sulfonyl-N-(5-phenyl-2-pyridinyl)propanamide
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N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
5-chloro-N-(5-phenyl-2-pyridinyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55951557
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
[(2R)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-2-pyridinyl)amino]propan-2-yl]carbamic acid
CID 141165087
2-phenyl-N-(5-phenyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 56573846
2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 144869142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide?
The IUPAC name of 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide (CID 143651838) is 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide?
The canonical SMILES for 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide is CC(C)SC(C)(C)C(=O)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide?
The InChIKey is LVXRXQVNHUTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13(2)22-18(3,4)17(21)20-16-11-10-15(12-19-16)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide?
2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide has a molecular weight of 314.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-phenyl-2-pyridinyl)-2-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 143651838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).