2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

C19H14Cl2N2O4S2 — CID 19166995

IUPAC2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(/C=C2/SC(=S)N(NC(=O)COc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C19H14Cl2N2O4S2/c1-26-13-5-2-11(3-6-13)8-16-18(25)23(19(28)29-16)22-17(24)10-27-15-7-4-12(20)9-14(15)21/h2-9H,10H2,1H3,(H,22,24)/b16-8+
InChIKeyLBLOLASYDKBXHK-LZYBPNLTSA-N
MW469.37 g/mol
LogP4.31
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide (PubChem CID 19166995) has the molecular formula C19H14Cl2N2O4S2 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
PubChem CID19166995
Molecular FormulaC19H14Cl2N2O4S2
Molecular Weight469.37 g/mol
Exact Mass467.98
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(/C=C2/SC(=S)N(NC(=O)COc3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C19H14Cl2N2O4S2/c1-26-13-5-2-11(3-6-13)8-16-18(25)23(19(28)29-16)22-17(24)10-27-15-7-4-12(20)9-14(15)21/h2-9H,10H2,1H3,(H,22,24)/b16-8+
InChIKeyLBLOLASYDKBXHK-LZYBPNLTSA-N
XLogP4.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 3703763
N-[5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3388726
2-[2-methoxy-4-[(Z)-[4-oxo-2-sulfanylidene-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 6275414
N-[5-[[4-(diethylamino)phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3390734
1-(3,4-dichlorophenyl)-3-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]urea
CID 18772827
2,4-dichloro-N-[5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 3722613
N-[(5E)-5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methoxybenzamide
CID 126337818
2,4-dichloro-N-[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1386759
N-[5-[[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methoxybenzamide
CID 4098707
4-chloro-N-[(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 19200629
2,4-dichloro-N-[5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 3289732
ethyl 2-[2-methoxy-5-[(Z)-[3-[(4-methoxybenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 126211267

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide (CID 19166995) is 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide is COc1ccc(/C=C2/SC(=S)N(NC(=O)COc3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is LBLOLASYDKBXHK-LZYBPNLTSA-N. The full InChI is InChI=1S/C19H14Cl2N2O4S2/c1-26-13-5-2-11(3-6-13)8-16-18(25)23(19(28)29-16)22-17(24)10-27-15-7-4-12(20)9-14(15)21/h2-9H,10H2,1H3,(H,22,24)/b16-8+.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 469.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 19166995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).