2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

C18H19FN2O3S — CID 96543729

IUPAC2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-4-6-17(7-5-15)21(12-16-3-1-2-9-20-16)18(22)11-14-8-10-25(23,24)13-14/h1-7,9,14H,8,10-13H2/t14-/m0/s1
InChIKeyDPTBJEYCHNIXHH-AWEZNQCLSA-N
MW362.43 g/mol
LogP2.58
Rot. Bonds5

About 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 96543729) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID96543729
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3S/c19-15-4-6-17(7-5-15)21(12-16-3-1-2-9-20-16)18(22)11-14-8-10-25(23,24)13-14/h1-7,9,14H,8,10-13H2/t14-/m0/s1
InChIKeyDPTBJEYCHNIXHH-AWEZNQCLSA-N
XLogP2.58
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Pyridyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolan-4-one
CID 2732594
3-(2-Fluorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 5043540
3-Phenyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3237434
1-[4-[5-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylethanone
CID 137639502
3-(2,4-Difluorophenyl)-5-[(dimethylamino)methylidene]-2-(3-pyridyl)-1lambda~6~,3-thiazolane-1,1,4-trione
CID 2732805
2-Phenyl-3-(pyridin-2-ylmethyl)thiazolidin-4-one
CID 3863359
3-(2,4-Difluorophenyl)-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 5043358
2-(4-Methylsulfonylphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one
CID 134131351
2-(2-(4-Fluorophenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
CID 44430932
(1,1-Dioxothian-4-yl)-[2-(4-fluorophenyl)-4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone
CID 118013286
(1,1-Dioxothian-4-yl)-[2-(3-fluorophenyl)-4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone
CID 118013288
(1,1-Dioxothian-4-yl)-[2-(2-fluorophenyl)-4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone
CID 118013292

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 96543729) is 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(C[C@@H]1CCS(=O)(=O)C1)N(Cc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is DPTBJEYCHNIXHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c19-15-4-6-17(7-5-15)21(12-16-3-1-2-9-20-16)18(22)11-14-8-10-25(23,24)13-14/h1-7,9,14H,8,10-13H2/t14-/m0/s1.
What are the key properties of 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1,1-dioxothiolan-3-yl]-N-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 96543729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).