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

C13H16N2O3S — CID 3161808

IUPACN-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCOc1cccc(NC(=O)CC2SCCNC2=O)c1
InChIInChI=1S/C13H16N2O3S/c1-18-10-4-2-3-9(7-10)15-12(16)8-11-13(17)14-5-6-19-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyVQKUJUMCCPTJON-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.26
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 3161808) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID3161808
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCOc1cccc(NC(=O)CC2SCCNC2=O)c1
InChIInChI=1S/C13H16N2O3S/c1-18-10-4-2-3-9(7-10)15-12(16)8-11-13(17)14-5-6-19-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyVQKUJUMCCPTJON-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 2040113
N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 162653892
ethyl 6-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 16584929
2-[(5S)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135691436
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589
2-(2,5-dioxoimidazolidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 47150004
methyl 2-[(2S)-1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-1-ium-2-yl]acetate
CID 8560547
N-(3-methoxyphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)acetamide
CID 50806716
2-[(2E,5R)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135725400
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
CID 7263385
2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135704975
2-[(5R)-2-(3-ethoxypropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methoxyphenyl)acetamide
CID 135705020

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 3161808) is N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is COc1cccc(NC(=O)CC2SCCNC2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is VQKUJUMCCPTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-18-10-4-2-3-9(7-10)15-12(16)8-11-13(17)14-5-6-19-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 280.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 3161808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).