N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

C12H13FN2O2S — CID 6458087

IUPACN-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccccc1F
InChIInChI=1S/C12H13FN2O2S/c13-8-3-1-2-4-9(8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyHHCOIUGMTUBQBU-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.39
Rot. Bonds3

About N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 6458087) has the molecular formula C12H13FN2O2S and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID6458087
Molecular FormulaC12H13FN2O2S
Molecular Weight268.31 g/mol
Exact Mass268.07
IUPAC NameN-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccccc1F
InChIInChI=1S/C12H13FN2O2S/c13-8-3-1-2-4-9(8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyHHCOIUGMTUBQBU-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 7263385
N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 162653892
N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 2040113
ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
CID 145396418
N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 3161808
2-(4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25105335
2-[(5R)-2-(2,6-diethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 135725296
N-(2-fluorophenyl)-2-[(5R)-2-[(2-methoxyphenyl)methylimino]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836367
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
1-[2-(2-fluoroanilino)-2-oxoethyl]-5-oxopiperazine-2-carboxylic acid
CID 107439777
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80585441

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 6458087) is N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is O=C(CC1SCCNC1=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is HHCOIUGMTUBQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S/c13-8-3-1-2-4-9(8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16).
What are the key properties of N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 268.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 6458087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).