N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide

C14H18N2O2S — CID 7263385

IUPACN-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SCCNC2=O)c(C)c1
InChIInChI=1S/C14H18N2O2S/c1-9-3-4-11(10(2)7-9)16-13(17)8-12-14(18)15-5-6-19-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyJGZZFLDEXGAPKJ-LBPRGKRZSA-N
MW278.38 g/mol
LogP1.86
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide (PubChem CID 7263385) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
PubChem CID7263385
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SCCNC2=O)c(C)c1
InChIInChI=1S/C14H18N2O2S/c1-9-3-4-11(10(2)7-9)16-13(17)8-12-14(18)15-5-6-19-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeyJGZZFLDEXGAPKJ-LBPRGKRZSA-N
XLogP1.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 6458087
N-(2,4-dimethylphenyl)-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674362
ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
CID 145396418
N-(2,4-dimethylphenyl)-2-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832372
N-(2,4-dimethylphenyl)-2-[(5R)-2-(2-methoxyethylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691482
N-(3-fluoro-4-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 162653892
N-(2,4-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703519
N-(2,4-dimethylphenyl)-2-[(2E)-2-[(4-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135755227
2-[(2S,4aS,8aS)-3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 41385171
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]acetamide
CID 51859781
N-(2,4-dimethylphenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 702403
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide (CID 7263385) is N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2SCCNC2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
The InChIKey is JGZZFLDEXGAPKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-3-4-11(10(2)7-9)16-13(17)8-12-14(18)15-5-6-19-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide is sourced from PubChem (CID 7263385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).