2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

C14H22N2O2S — CID 31959897

IUPAC2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCCCCSCC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O2S/c1-4-5-6-19-9-13(17)15-8-12-10(2)7-11(3)16-14(12)18/h7H,4-6,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNNLADKLFEGDPNY-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.14
Rot. Bonds7

About 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide

2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (PubChem CID 31959897) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
PubChem CID31959897
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
SMILESCCCCSCC(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H22N2O2S/c1-4-5-6-19-9-13(17)15-8-12-10(2)7-11(3)16-14(12)18/h7H,4-6,8-9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNNLADKLFEGDPNY-UHFFFAOYSA-N
XLogP2.14
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The IUPAC name of 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide (CID 31959897) is 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The canonical SMILES for 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is CCCCSCC(=O)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
The InChIKey is NNLADKLFEGDPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-5-6-19-9-13(17)15-8-12-10(2)7-11(3)16-14(12)18/h7H,4-6,8-9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide?
2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 31959897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).