N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

C13H15FN2O3S — CID 162653892

IUPACN-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2SCCNC2=O)cc1F
InChIInChI=1S/C13H15FN2O3S/c1-19-10-3-2-8(6-9(10)14)16-12(17)7-11-13(18)15-4-5-20-11/h2-3,6,11H,4-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyOEEHRHHPDCRGCF-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.39
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 162653892) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID162653892
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2SCCNC2=O)cc1F
InChIInChI=1S/C13H15FN2O3S/c1-19-10-3-2-8(6-9(10)14)16-12(17)7-11-13(18)15-4-5-20-11/h2-3,6,11H,4-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyOEEHRHHPDCRGCF-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 3161808
N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 2040113
N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 6458087
2-(cyclopropylmethylamino)-N-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119705687
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 7263385
ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
CID 145396418
N-(3-fluoro-4-methoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611096
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135535522
methyl 2-[(2R)-1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8561434
2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
N-(3-chloro-4-methoxyphenyl)-2-[(5R)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135836348
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 162653892) is N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is COc1ccc(NC(=O)CC2SCCNC2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is OEEHRHHPDCRGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-19-10-3-2-8(6-9(10)14)16-12(17)7-11-13(18)15-4-5-20-11/h2-3,6,11H,4-5,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 162653892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).