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

C19H15N3O6S — CID 7358041

IUPAC2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O6S/c23-15(12-4-2-1-3-5-12)11-21-18(25)16(29-19(21)26)10-17(24)20-13-6-8-14(9-7-13)22(27)28/h1-9,16H,10-11H2,(H,20,24)/t16-/m1/s1
InChIKeyIQFMOTUOULVWGL-MRXNPFEDSA-N
MW413.41 g/mol
LogP2.87
Rot. Bonds7

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

2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 7358041) has the molecular formula C19H15N3O6S and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
PubChem CID7358041
Molecular FormulaC19H15N3O6S
Molecular Weight413.41 g/mol
Exact Mass413.07
IUPAC Name2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide
SMILESO=C(C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H15N3O6S/c23-15(12-4-2-1-3-5-12)11-21-18(25)16(29-19(21)26)10-17(24)20-13-6-8-14(9-7-13)22(27)28/h1-9,16H,10-11H2,(H,20,24)/t16-/m1/s1
InChIKeyIQFMOTUOULVWGL-MRXNPFEDSA-N
XLogP2.87
TPSA126.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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
methyl 4-[[2-[(5S)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 41473900
2-(2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 18847890
2-[5-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 23762747
2-[(5S)-2,4-dioxo-5-phenacyl-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 2146125
2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 7358056
N-(4-nitrophenyl)-2-[(5S)-4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 40732511
2-[2-[(E)-[3-[2-(4-nitrophenyl)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 126352404
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 84571824
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
2-[3-ethyl-2-(2-methyl-5-nitrophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-ethylphenyl)acetamide
CID 21368577
3,4-dimethyl-1-[2-(4-nitrophenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79178979

Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide (CID 7358041) is 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide is O=C(C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is IQFMOTUOULVWGL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H15N3O6S/c23-15(12-4-2-1-3-5-12)11-21-18(25)16(29-19(21)26)10-17(24)20-13-6-8-14(9-7-13)22(27)28/h1-9,16H,10-11H2,(H,20,24)/t16-/m1/s1.
What are the key properties of 2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide?
2-[(5R)-2,4-dioxo-3-phenacyl-1,3-thiazolidin-5-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 413.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(4-nitrophenyl)acetamide is sourced from PubChem (CID 7358041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).