N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide

C13H16N2O2S — CID 2040113

IUPACN-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
SMILESCc1cccc(NC(=O)C[C@@H]2SCCNC2=O)c1
InChIInChI=1S/C13H16N2O2S/c1-9-3-2-4-10(7-9)15-12(16)8-11-13(17)14-5-6-18-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyBOLKFSMQXORQAR-NSHDSACASA-N
MW264.35 g/mol
LogP1.56
Rot. Bonds3

About N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide

N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide (PubChem CID 2040113) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
PubChem CID2040113
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide
SMILESCc1cccc(NC(=O)C[C@@H]2SCCNC2=O)c1
InChIInChI=1S/C13H16N2O2S/c1-9-3-2-4-10(7-9)15-12(16)8-11-13(17)14-5-6-18-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKeyBOLKFSMQXORQAR-NSHDSACASA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 3161808
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
ethyl (3S,6R)-6-[2-(3-methylanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 41281835
N-(3-methylphenyl)-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 51674371
N-(2-fluorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
CID 6458087
N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2981146
ethane;N-methyl-2-(3-oxothiomorpholin-2-yl)acetamide
CID 145396418
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
2-(4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 25105335
2-[(5S)-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 135890287
N-(3-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982363

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide (CID 2040113) is N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide is Cc1cccc(NC(=O)C[C@@H]2SCCNC2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
The InChIKey is BOLKFSMQXORQAR-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-3-2-4-10(7-9)15-12(16)8-11-13(17)14-5-6-18-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1.
What are the key properties of N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide?
N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(2S)-3-oxothiomorpholin-2-yl]acetamide is sourced from PubChem (CID 2040113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).