N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide

C18H16N2O3S — CID 23993202

IUPACN-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3S/c21-16(11-13-7-3-1-4-8-13)19-12-15-17(22)20(18(23)24-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)
InChIKeyCSVQMUVRVMJXLY-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.61
Rot. Bonds5

About N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide

N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide (PubChem CID 23993202) 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)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide
PubChem CID23993202
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3S/c21-16(11-13-7-3-1-4-8-13)19-12-15-17(22)20(18(23)24-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21)
InChIKeyCSVQMUVRVMJXLY-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-fluorophenyl)methyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5158922
5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 43844223
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(2-phenylethyl)acetamide
CID 110343488
2-[(5S)-3-(4-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetic acid
CID 51859703
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
2-[3-(4-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxypropyl)acetamide
CID 43826283
3-(4-methylphenyl)-5-[3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]prop-2-enyl]-1,3-thiazolidine-2,4-dione
CID 23996183
N-[3-(4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-2-phenylacetamide
CID 23884228
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
2-[3-(4-butylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyethyl)acetamide
CID 43826301
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-[[2-[3-(4-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863921

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide (CID 23993202) is N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide?
The InChIKey is CSVQMUVRVMJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-16(11-13-7-3-1-4-8-13)19-12-15-17(22)20(18(23)24-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,21).
What are the key properties of N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide?
N-[(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)methyl]-2-phenylacetamide has a molecular weight of 340.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 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)methyl]-2-phenylacetamide is sourced from PubChem (CID 23993202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).