4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide

C15H24N2O2S — CID 84589481

IUPAC4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide
SMILESCc1ccn(C)c(=O)c1NC(=O)CCCSC(C)(C)C
InChIInChI=1S/C15H24N2O2S/c1-11-8-9-17(5)14(19)13(11)16-12(18)7-6-10-20-15(2,3)4/h8-9H,6-7,10H2,1-5H3,(H,16,18)
InChIKeyHZKGVWQLXMBJMR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.94
Rot. Bonds5

About 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide

4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide (PubChem CID 84589481) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide
PubChem CID84589481
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide
SMILESCc1ccn(C)c(=O)c1NC(=O)CCCSC(C)(C)C
InChIInChI=1S/C15H24N2O2S/c1-11-8-9-17(5)14(19)13(11)16-12(18)7-6-10-20-15(2,3)4/h8-9H,6-7,10H2,1-5H3,(H,16,18)
InChIKeyHZKGVWQLXMBJMR-UHFFFAOYSA-N
XLogP2.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 91660293
2-(4-tert-butylsulfanylbutanoylamino)-6-methylbenzamide
CID 75388288
2-[4-(2,6-dimethylanilino)-4-oxobutyl]sulfanylacetic acid
CID 44784956
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119820458
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methylphenoxy)propanamide
CID 154864064
N-(2,6-dimethylphenyl)-4-[2-(2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]butanamide
CID 46575207
N-(2,6-dimethylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]sulfanylbutanamide
CID 31090336
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86803953
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
2-(3-chlorophenyl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 154862185
N-(2,6-dimethylphenyl)-4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylbutanamide
CID 31090338
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,6-dimethylphenyl)butanamide
CID 30433870

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide?
The IUPAC name of 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide (CID 84589481) is 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide.
What is the SMILES notation for 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide?
The canonical SMILES for 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide is Cc1ccn(C)c(=O)c1NC(=O)CCCSC(C)(C)C.
What is the InChIKey of 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide?
The InChIKey is HZKGVWQLXMBJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-8-9-17(5)14(19)13(11)16-12(18)7-6-10-20-15(2,3)4/h8-9H,6-7,10H2,1-5H3,(H,16,18).
What are the key properties of 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide?
4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide has a molecular weight of 296.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide is sourced from PubChem (CID 84589481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).