2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide

C17H20N2OS — CID 23801438

IUPAC2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide
SMILESCCC(Sc1ccc(C)cc1)C(=O)Nc1ncccc1C
InChIInChI=1S/C17H20N2OS/c1-4-15(21-14-9-7-12(2)8-10-14)17(20)19-16-13(3)6-5-11-18-16/h5-11,15H,4H2,1-3H3,(H,18,19,20)
InChIKeyPSMMECPPYGKUAN-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.21
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide

2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide (PubChem CID 23801438) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide
PubChem CID23801438
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide
SMILESCCC(Sc1ccc(C)cc1)C(=O)Nc1ncccc1C
InChIInChI=1S/C17H20N2OS/c1-4-15(21-14-9-7-12(2)8-10-14)17(20)19-16-13(3)6-5-11-18-16/h5-11,15H,4H2,1-3H3,(H,18,19,20)
InChIKeyPSMMECPPYGKUAN-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
CID 39951954
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
CID 23801442
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
4-[2-(4-methylphenyl)sulfanylbutanoylamino]benzoic acid
CID 23970288
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 61148284
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylbutanamide
CID 23743067
N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 23743160
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
CID 20908523
N-[3-[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 18907161

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide (CID 23801438) is 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide is CCC(Sc1ccc(C)cc1)C(=O)Nc1ncccc1C.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide?
The InChIKey is PSMMECPPYGKUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-15(21-14-9-7-12(2)8-10-14)17(20)19-16-13(3)6-5-11-18-16/h5-11,15H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide?
2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide has a molecular weight of 300.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-(3-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 23801438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).