N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide

C17H20N2OS — CID 23743160

IUPACN-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ccccn1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C17H20N2OS/c1-4-15(21-16-7-5-6-10-18-16)17(20)19-14-9-8-12(2)11-13(14)3/h5-11,15H,4H2,1-3H3,(H,19,20)
InChIKeyNQCDYNJRBKXQGY-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.21
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide

N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide (PubChem CID 23743160) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
PubChem CID23743160
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ccccn1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C17H20N2OS/c1-4-15(21-16-7-5-6-10-18-16)17(20)19-14-9-8-12(2)11-13(14)3/h5-11,15H,4H2,1-3H3,(H,19,20)
InChIKeyNQCDYNJRBKXQGY-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

(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 795640
(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 949421
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
N-(2,4-dimethylphenyl)-2-(8-methoxy-4-methylquinolin-2-yl)sulfanylbutanamide
CID 46302344
ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate
CID 2964289
2-pyridin-2-ylsulfanylbutanamide
CID 21127936
N-[3-[1-(2,4-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 18906565
N-(2,4-dimethylphenyl)-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]butanamide
CID 46304338
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
2-(6-methylpyrimidin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)butanamide
CID 46304677

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide (CID 23743160) is N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide is CCC(Sc1ccccn1)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
The InChIKey is NQCDYNJRBKXQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-4-15(21-16-7-5-6-10-18-16)17(20)19-14-9-8-12(2)11-13(14)3/h5-11,15H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide?
N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide 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 N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide is sourced from PubChem (CID 23743160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).