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

C13H13ClN2O2S2 — CID 17033513

IUPACN-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1C(=O)C(C)SC1=S
InChIInChI=1S/C13H13ClN2O2S2/c1-7-9(14)4-3-5-10(7)15-11(17)6-16-12(18)8(2)20-13(16)19/h3-5,8H,6H2,1-2H3,(H,15,17)
InChIKeySYUHUWBDBDZQCI-UHFFFAOYSA-N
MW328.85 g/mol
LogP2.84
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (PubChem CID 17033513) has the molecular formula C13H13ClN2O2S2 and a molecular weight of 328.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
PubChem CID17033513
Molecular FormulaC13H13ClN2O2S2
Molecular Weight328.85 g/mol
Exact Mass328.01
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CN1C(=O)C(C)SC1=S
InChIInChI=1S/C13H13ClN2O2S2/c1-7-9(14)4-3-5-10(7)15-11(17)6-16-12(18)8(2)20-13(16)19/h3-5,8H,6H2,1-2H3,(H,15,17)
InChIKeySYUHUWBDBDZQCI-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 52.84
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'}

Analyze N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 46497724
N-(3-chloro-2-methylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409254
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(2-methylphenyl)propanamide
CID 17033706
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethyl-4-oxo-1-pyridinyl)acetamide
CID 108794883
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
6-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(2-methylphenyl)hexanamide
CID 17034004
N-(3-chloro-2-methylphenyl)-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53025402
N-(2-ethylphenyl)-4-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamide
CID 17033824
2-(7-chloro-3-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 15993350

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide (CID 17033513) is N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(C)SC1=S.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is SYUHUWBDBDZQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S2/c1-7-9(14)4-3-5-10(7)15-11(17)6-16-12(18)8(2)20-13(16)19/h3-5,8H,6H2,1-2H3,(H,15,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 328.85 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 17033513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).