N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide

C15H24N2O4S — CID 123123472

IUPACN-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCCNC(=O)CS(=O)Cc1cc(=O)c(OCCC)c[nH]1
InChIInChI=1S/C15H24N2O4S/c1-3-5-6-16-15(19)11-22(20)10-12-8-13(18)14(9-17-12)21-7-4-2/h8-9H,3-7,10-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySXKAMMUFFIXRQF-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.33
Rot. Bonds10

About N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide

N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (PubChem CID 123123472) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
PubChem CID123123472
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
SMILESCCCCNC(=O)CS(=O)Cc1cc(=O)c(OCCC)c[nH]1
InChIInChI=1S/C15H24N2O4S/c1-3-5-6-16-15(19)11-22(20)10-12-8-13(18)14(9-17-12)21-7-4-2/h8-9H,3-7,10-11H2,1-2H3,(H,16,19)(H,17,18)
InChIKeySXKAMMUFFIXRQF-UHFFFAOYSA-N
XLogP1.33
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123474
N-(4-fluorophenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123361
2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 123123391
N-(2,5-dimethylphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123388
N-(2-ethoxyphenyl)-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide
CID 123123362
methyl 4-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]butanoate
CID 123123593
4-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]butanamide
CID 123123608
2-[[2-(4-methylphenyl)-2-oxoethyl]sulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123123574
2-[[2-(4-bromophenyl)-2-oxoethyl]sulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123123579
2-[[2-(1H-indol-3-yl)-2-oxoethyl]sulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123123586
butyl 2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]propanoate
CID 123123491
2-[(4-methylphenyl)methylsulfinylmethyl]-5-propoxy-1H-pyridin-4-one
CID 123104840

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The IUPAC name of N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide (CID 123123472) is N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is CCCCNC(=O)CS(=O)Cc1cc(=O)c(OCCC)c[nH]1.
What is the InChIKey of N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
The InChIKey is SXKAMMUFFIXRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-3-5-6-16-15(19)11-22(20)10-12-8-13(18)14(9-17-12)21-7-4-2/h8-9H,3-7,10-11H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide?
N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide has a molecular weight of 328.43 g/mol, XLogP of 1.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-oxo-5-propoxy-1H-pyridin-2-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 123123472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).