2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide

C20H20N4O6S2 — CID 16634302

IUPAC2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCCOc1cc(/C=C2\SC(N)=NC2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O6S2/c1-2-29-16-9-12(10-17-19(26)24-20(21)31-17)3-8-15(16)30-11-18(25)23-13-4-6-14(7-5-13)32(22,27)28/h3-10H,2,11H2,1H3,(H,23,25)(H2,21,24,26)(H2,22,27,28)/b17-10-
InChIKeyIWBUFYUZVYUAQJ-YVLHZVERSA-N
MW476.54 g/mol
LogP1.68
Rot. Bonds8

About 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide

2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 16634302) has the molecular formula C20H20N4O6S2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID16634302
Molecular FormulaC20H20N4O6S2
Molecular Weight476.54 g/mol
Exact Mass476.08
IUPAC Name2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCCOc1cc(/C=C2\SC(N)=NC2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O6S2/c1-2-29-16-9-12(10-17-19(26)24-20(21)31-17)3-8-15(16)30-11-18(25)23-13-4-6-14(7-5-13)32(22,27)28/h3-10H,2,11H2,1H3,(H,23,25)(H2,21,24,26)(H2,22,27,28)/b17-10-
InChIKeyIWBUFYUZVYUAQJ-YVLHZVERSA-N
XLogP1.68
TPSA163.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]acetate
CID 16634310
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-hydroxyphenyl)acetamide
CID 16634196
2-[2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19256391
methyl 2-[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-methoxyphenoxy]acetate
CID 3655525
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320
2-[2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-hydroxyphenyl)acetamide
CID 16634090
4-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-sulfamoylphenyl)butanamide
CID 16630397
2-[2-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-bromophenoxy]-N-(4-hydroxyphenyl)acetamide
CID 16634356
(5Z)-2-amino-5-[[4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-1,3-thiazol-4-one
CID 5350313
2-amino-5-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 4215883
(5Z)-2-amino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
CID 96867367
2-[2-ethoxy-4-[(E)-[3-(3-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 19581641

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 16634302) is 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide is CCOc1cc(/C=C2\SC(N)=NC2=O)ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is IWBUFYUZVYUAQJ-YVLHZVERSA-N. The full InChI is InChI=1S/C20H20N4O6S2/c1-2-29-16-9-12(10-17-19(26)24-20(21)31-17)3-8-15(16)30-11-18(25)23-13-4-6-14(7-5-13)32(22,27)28/h3-10H,2,11H2,1H3,(H,23,25)(H2,21,24,26)(H2,22,27,28)/b17-10-.
What are the key properties of 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 476.54 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 16634302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).