N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

C12H11ClN2O2S2 — CID 17033456

IUPACN-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCC1SC(=S)N(CC(=O)Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H11ClN2O2S2/c1-7-11(17)15(12(18)19-7)6-10(16)14-9-4-2-3-8(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyUCALKGCUFWOZOO-UHFFFAOYSA-N
MW314.82 g/mol
LogP2.53
Rot. Bonds3

About N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide

N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 17033456) has the molecular formula C12H11ClN2O2S2 and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID17033456
Molecular FormulaC12H11ClN2O2S2
Molecular Weight314.82 g/mol
Exact Mass314.00
IUPAC NameN-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCC1SC(=S)N(CC(=O)Nc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H11ClN2O2S2/c1-7-11(17)15(12(18)19-7)6-10(16)14-9-4-2-3-8(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyUCALKGCUFWOZOO-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033488
N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033513
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 7733866
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 2708286
[4-[[2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetyl]amino]phenyl] thiocyanate
CID 17033492
N-(3-chlorophenyl)-2-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 23310387
N-(3-chlorophenyl)-2-[(2S)-2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 40504664
N-(3-chlorophenyl)-2-[(1R,2S,6S,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]acetamide
CID 98260581
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3530495
N-(3-chlorophenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875244
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 17033456) is N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is CC1SC(=S)N(CC(=O)Nc2cccc(Cl)c2)C1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is UCALKGCUFWOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S2/c1-7-11(17)15(12(18)19-7)6-10(16)14-9-4-2-3-8(13)5-9/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 314.82 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 17033456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).