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

C20H18N2O4S — CID 7358056

IUPAC2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H18N2O4S/c1-13-7-5-6-10-15(13)21-18(24)11-17-19(25)22(20(26)27-17)12-16(23)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyUGXOJTMXHKOZAN-QGZVFWFLSA-N
MW382.44 g/mol
LogP3.27
Rot. Bonds6

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

2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (PubChem CID 7358056) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
PubChem CID7358056
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H18N2O4S/c1-13-7-5-6-10-15(13)21-18(24)11-17-19(25)22(20(26)27-17)12-16(23)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyUGXOJTMXHKOZAN-QGZVFWFLSA-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-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 7358070
2-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 18847890
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-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 2146125
2-[5-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 23762747
N-(2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 18892057
N-(2-methylphenyl)-2-[3-(2-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 18892076
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715739
2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-naphthalen-1-ylacetamide
CID 3155764
2-(3-tert-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 5128316

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide (CID 7358056) is 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is UGXOJTMXHKOZAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-13-7-5-6-10-15(13)21-18(24)11-17-19(25)22(20(26)27-17)12-16(23)14-8-3-2-4-9-14/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide?
2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-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-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 7358056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).