N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

C20H17N3O4S2 — CID 135570646

IUPACN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1ccccc1O
InChIInChI=1S/C20H17N3O4S2/c1-12(15-4-2-3-5-16(15)24)22-23-18(25)11-27-14-8-6-13(7-9-14)10-17-19(26)21-20(28)29-17/h2-10,24H,11H2,1H3,(H,23,25)(H,21,26,28)/b17-10+,22-12-
InChIKeyGNYXYNAZOJEPTE-SSXIFJMBSA-N
MW427.51 g/mol
LogP2.80
Rot. Bonds6

About N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (PubChem CID 135570646) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
PubChem CID135570646
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
SMILESC/C(=N/NC(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1ccccc1O
InChIInChI=1S/C20H17N3O4S2/c1-12(15-4-2-3-5-16(15)24)22-23-18(25)11-27-14-8-6-13(7-9-14)10-17-19(26)21-20(28)29-17/h2-10,24H,11H2,1H3,(H,23,25)(H,21,26,28)/b17-10+,22-12-
InChIKeyGNYXYNAZOJEPTE-SSXIFJMBSA-N
XLogP2.80
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 135570644
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(Z)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]phenoxy]acetamide
CID 135754403
N-benzyl-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 51353661
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
2-(4-tert-butylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 921053
N-(2,4-dimethylphenyl)-2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 18808558
[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 1353629
2-[4-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]sulfanylphenoxy]acetic acid
CID 139661406
2-[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16634046
(5E)-5-[[4-(2-hydroxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 121003270
(5Z)-5-[[4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1344651
(5Z)-5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 66571880

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide (CID 135570646) is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The canonical SMILES for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is C/C(=N/NC(=O)COc1ccc(/C=C2/SC(=S)NC2=O)cc1)c1ccccc1O.
What is the InChIKey of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
The InChIKey is GNYXYNAZOJEPTE-SSXIFJMBSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c1-12(15-4-2-3-5-16(15)24)22-23-18(25)11-27-14-8-6-13(7-9-14)10-17-19(26)21-20(28)29-17/h2-10,24H,11H2,1H3,(H,23,25)(H,21,26,28)/b17-10+,22-12-.
What are the key properties of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide?
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide has a molecular weight of 427.51 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 135570646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).