2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

C20H18N2O4S — CID 7358070

IUPAC2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-7-9-15(10-8-13)21-18(24)11-17-19(25)22(20(26)27-17)12-16(23)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyIUKBLLGCZHSURG-KRWDZBQOSA-N
MW382.44 g/mol
LogP3.27
Rot. Bonds6

About 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide

2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 7358070) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID7358070
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-7-9-15(10-8-13)21-18(24)11-17-19(25)22(20(26)27-17)12-16(23)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyIUKBLLGCZHSURG-KRWDZBQOSA-N
XLogP3.27
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.27
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

2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 2146125
methyl 4-[[2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 41473900
2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
CID 7358041
2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7358056
2-[5-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 23762747
2-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 18847890
2-[2,4-dioxo-3-(piperidin-1-ylmethyl)-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 2892644
2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 18892023
ethyl 4-[[2-[5-[2-(4-fluoroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoate
CID 18807677
2-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 171982150
2-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
2-[(2Z)-2-(benzenesulfonylimino)-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 18477647

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide (CID 7358070) is 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)C[C@@H]2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is IUKBLLGCZHSURG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13-7-9-15(10-8-13)21-18(24)11-17-19(25)22(20(26)27-17)12-16(23)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide?
2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7358070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).