N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide

C18H16N2O3S — CID 649976

IUPACN-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)C1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3S/c1-12-7-6-10-15(11-12)19(13(2)21)17-16(22)20(18(23)24-17)14-8-4-3-5-9-14/h3-11,17H,1-2H3
InChIKeyNELKCNYFCQOAKP-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.57
Rot. Bonds3

About N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide

N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide (PubChem CID 649976) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
PubChem CID649976
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)C1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3S/c1-12-7-6-10-15(11-12)19(13(2)21)17-16(22)20(18(23)24-17)14-8-4-3-5-9-14/h3-11,17H,1-2H3
InChIKeyNELKCNYFCQOAKP-UHFFFAOYSA-N
XLogP3.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-Diphenyl-4-thiazolidinone
CID 98327
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
2-(3-Nitrophenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2844802
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289
3-(2,4-Difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
3-(2-Fluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129447
2-(Benzylthio)-1-(4-phenylpiperazin-1-yl)ethanone
CID 882075

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide (CID 649976) is N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)C1SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is NELKCNYFCQOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-7-6-10-15(11-12)19(13(2)21)17-16(22)20(18(23)24-17)14-8-4-3-5-9-14/h3-11,17H,1-2H3.
What are the key properties of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide?
N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 649976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).