2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide

C22H19N3O3S2 — CID 142717684

IUPAC2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1cncc2cc(/C=C3\SC(=S)NC3=O)oc12)NCCCc1ccccc1
InChIInChI=1S/C22H19N3O3S2/c26-19(24-8-4-7-14-5-2-1-3-6-14)10-16-13-23-12-15-9-17(28-20(15)16)11-18-21(27)25-22(29)30-18/h1-3,5-6,9,11-13H,4,7-8,10H2,(H,24,26)(H,25,27,29)/b18-11-
InChIKeyLKFMIYNBKBIMOQ-WQRHYEAKSA-N
MW437.55 g/mol
LogP3.61
Rot. Bonds7

About 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide

2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide (PubChem CID 142717684) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide
PubChem CID142717684
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC Name2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide
SMILESO=C(Cc1cncc2cc(/C=C3\SC(=S)NC3=O)oc12)NCCCc1ccccc1
InChIInChI=1S/C22H19N3O3S2/c26-19(24-8-4-7-14-5-2-1-3-6-14)10-16-13-23-12-15-9-17(28-20(15)16)11-18-21(27)25-22(29)30-18/h1-3,5-6,9,11-13H,4,7-8,10H2,(H,24,26)(H,25,27,29)/b18-11-
InChIKeyLKFMIYNBKBIMOQ-WQRHYEAKSA-N
XLogP3.61
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide with MolForge

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Related Compounds

(5E)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090525
(5E)-5-[[7-(3-fluoro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090641
methyl 2-chloro-5-[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzoate
CID 118090609
methyl 2-fluoro-4-[2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzoate
CID 154170267
2-[2-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(2-phenylethyl)acetamide
CID 44821100
(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118089952
5-[[7-[3-[(4-methoxyphenyl)methoxy]phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154209513
(5E)-2-sulfanylidene-5-[[7-[2-[4-(trifluoromethoxy)phenyl]ethynyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 118090828
5-[[7-[4-amino-3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154190586
N-benzyl-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 51353661
2-methyl-4-[2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-propan-2-ylbenzenesulfonamide
CID 140751554
(5Z)-5-[[7-(3-phenylmethoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090301

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide (CID 142717684) is 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide is O=C(Cc1cncc2cc(/C=C3\SC(=S)NC3=O)oc12)NCCCc1ccccc1.
What is the InChIKey of 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide?
The InChIKey is LKFMIYNBKBIMOQ-WQRHYEAKSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c26-19(24-8-4-7-14-5-2-1-3-6-14)10-16-13-23-12-15-9-17(28-20(15)16)11-18-21(27)25-22(29)30-18/h1-3,5-6,9,11-13H,4,7-8,10H2,(H,24,26)(H,25,27,29)/b18-11-.
What are the key properties of 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide?
2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide has a molecular weight of 437.55 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 142717684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).