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

C20H18N2O4S — CID 2146125

IUPAC2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)S[C@@H](CC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-7-9-15(10-8-13)21-18(24)12-22-19(25)17(27-20(22)26)11-16(23)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyDSEDOMGKGMEEMQ-KRWDZBQOSA-N
MW382.44 g/mol
LogP3.27
Rot. Bonds6

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

2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide (PubChem CID 2146125) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
PubChem CID2146125
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)S[C@@H](CC(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H18N2O4S/c1-13-7-9-15(10-8-13)21-18(24)12-22-19(25)17(27-20(22)26)11-16(23)14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyDSEDOMGKGMEEMQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide (CID 2146125) is 2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)S[C@@H](CC(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is DSEDOMGKGMEEMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13-7-9-15(10-8-13)21-18(24)12-22-19(25)17(27-20(22)26)11-16(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-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide?
2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-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-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2146125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).