N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide

C23H23FN2O5S2 — CID 38958841

IUPACN-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
InChIInChI=1S/C23H23FN2O5S2/c24-19-11-5-4-10-18(19)15-20-22(28)26(23(29)32-20)13-12-25-21(27)16-33(30,31)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,15H,6,9,12-14,16H2,(H,25,27)/b20-15-
InChIKeyVHSVTXSFNJMDML-HKWRFOASSA-N
MW490.58 g/mol
LogP3.03
Rot. Bonds10

About N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide

N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide (PubChem CID 38958841) has the molecular formula C23H23FN2O5S2 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide
PubChem CID38958841
Molecular FormulaC23H23FN2O5S2
Molecular Weight490.58 g/mol
Exact Mass490.10
IUPAC NameN-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide
SMILESO=C(CS(=O)(=O)CCCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O
InChIInChI=1S/C23H23FN2O5S2/c24-19-11-5-4-10-18(19)15-20-22(28)26(23(29)32-20)13-12-25-21(27)16-33(30,31)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,15H,6,9,12-14,16H2,(H,25,27)/b20-15-
InChIKeyVHSVTXSFNJMDML-HKWRFOASSA-N
XLogP3.03
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 18777107
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-phenoxybutanamide
CID 4796729
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3,3-dimethylbutanamide
CID 8912881
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24555118
2-(2-bromophenyl)-N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 72687039
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-methylbenzamide
CID 8912869
1-butyl-3-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]urea
CID 3939257
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,2-dimethylpropanamide
CID 74489233
N-[2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenylpentanamide
CID 72686550
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-4-iodobenzamide
CID 29176375
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55755660
(Z)-N-[2-[(5E)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-phenylbut-2-enamide
CID 60529913

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
The IUPAC name of N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide (CID 38958841) is N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide.
What is the SMILES notation for N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
The canonical SMILES for N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide is O=C(CS(=O)(=O)CCCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O.
What is the InChIKey of N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
The InChIKey is VHSVTXSFNJMDML-HKWRFOASSA-N. The full InChI is InChI=1S/C23H23FN2O5S2/c24-19-11-5-4-10-18(19)15-20-22(28)26(23(29)32-20)13-12-25-21(27)16-33(30,31)14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-11,15H,6,9,12-14,16H2,(H,25,27)/b20-15-.
What are the key properties of N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide?
N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide has a molecular weight of 490.58 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(3-phenylpropylsulfonyl)acetamide is sourced from PubChem (CID 38958841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).