2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide

C18H21FN2O2S — CID 71921798

IUPAC2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H21FN2O2S/c1-18(2,3)24-12-16(22)20-15-5-4-10-21(17(15)23)11-13-6-8-14(19)9-7-13/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyKIRYKOYPVMYQSF-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.51
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide

2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide (PubChem CID 71921798) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
PubChem CID71921798
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
SMILESCC(C)(C)SCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H21FN2O2S/c1-18(2,3)24-12-16(22)20-15-5-4-10-21(17(15)23)11-13-6-8-14(19)9-7-13/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyKIRYKOYPVMYQSF-UHFFFAOYSA-N
XLogP3.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpentanamide
CID 119811096
2-(cyclopropylmethylamino)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811074
1-amino-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]cyclopropane-1-carboxamide;hydrochloride
CID 119811051
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(3-fluorophenyl)acetamide
CID 71921768
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 119811076
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 102559471
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637273
3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide
CID 154780300
N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119811093
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(cyclohexen-1-yl)acetamide
CID 139012958

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide (CID 71921798) is 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide is CC(C)(C)SCC(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?
The InChIKey is KIRYKOYPVMYQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-18(2,3)24-12-16(22)20-15-5-4-10-21(17(15)23)11-13-6-8-14(19)9-7-13/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide?
2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 71921798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).