N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide

C15H22N2O4S — CID 9317338

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCC(C)CN(C(=O)Cn1ccccc1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S/c1-12(2)9-17(13-6-8-22(20,21)11-13)15(19)10-16-7-4-3-5-14(16)18/h3-5,7,12-13H,6,8-11H2,1-2H3/t13-/m0/s1
InChIKeyLFZGPNBJXKQBEA-ZDUSSCGKSA-N
MW326.42 g/mol
LogP0.52
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 9317338) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID9317338
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCC(C)CN(C(=O)Cn1ccccc1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O4S/c1-12(2)9-17(13-6-8-22(20,21)11-13)15(19)10-16-7-4-3-5-14(16)18/h3-5,7,12-13H,6,8-11H2,1-2H3/t13-/m0/s1
InChIKeyLFZGPNBJXKQBEA-ZDUSSCGKSA-N
XLogP0.52
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558374
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide
CID 42973552
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 7613401
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methylpropyl)acetamide
CID 51971742
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42913629
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 41076102
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 41208549
2-[(4S)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 41208552
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-phenylphenoxy)acetamide
CID 8501582
N-(1,1-dioxothiolan-3-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 4535681
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 40797681
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 41081842

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide (CID 9317338) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide is CC(C)CN(C(=O)Cn1ccccc1=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is LFZGPNBJXKQBEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(2)9-17(13-6-8-22(20,21)11-13)15(19)10-16-7-4-3-5-14(16)18/h3-5,7,12-13H,6,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 9317338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).