2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

C15H18N2O3S2 — CID 4882133

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCc1ccc(SCC(=O)NCCN2C(=O)CSC2=O)cc1C
InChIInChI=1S/C15H18N2O3S2/c1-10-3-4-12(7-11(10)2)21-8-13(18)16-5-6-17-14(19)9-22-15(17)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyPIFFFAMOZCGWLS-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.21
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (PubChem CID 4882133) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
PubChem CID4882133
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
SMILESCc1ccc(SCC(=O)NCCN2C(=O)CSC2=O)cc1C
InChIInChI=1S/C15H18N2O3S2/c1-10-3-4-12(7-11(10)2)21-8-13(18)16-5-6-17-14(19)9-22-15(17)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyPIFFFAMOZCGWLS-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylsulfanylethyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2289294
2-(3,4-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 5037561
Acetamide, N-(2-(dimethylamino)ethyl)-2-((4-methylphenyl)thio)-, monohydrochloride
CID 215517
2-(2,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2088404
N-[2-(dimethylamino)ethyl]-2-[(4-methylphenyl)sulfanyl]acetamide
CID 215518
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402809
1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]imidazolidin-2-one
CID 8834423
N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 4820290
N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484977
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 24577465
2-(3,4-dimethylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 53519143
2-(3,4-dimethylphenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78765574

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide (CID 4882133) is 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is Cc1ccc(SCC(=O)NCCN2C(=O)CSC2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
The InChIKey is PIFFFAMOZCGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-10-3-4-12(7-11(10)2)21-8-13(18)16-5-6-17-14(19)9-22-15(17)20/h3-4,7H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide is sourced from PubChem (CID 4882133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).