ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate

C21H20N2O4S — CID 9123178

IUPACethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C21H20N2O4S/c1-3-26-21(25)17-6-4-5-7-18(17)23-19(24)12-27-16-10-8-15(9-11-16)20-22-14(2)13-28-20/h4-11,13H,3,12H2,1-2H3,(H,23,24)
InChIKeyUEOUKVYNYFXWNC-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.31
Rot. Bonds7

About ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate

ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate (PubChem CID 9123178) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
PubChem CID9123178
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Nameethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2nc(C)cs2)cc1
InChIInChI=1S/C21H20N2O4S/c1-3-26-21(25)17-6-4-5-7-18(17)23-19(24)12-27-16-10-8-15(9-11-16)20-22-14(2)13-28-20/h4-11,13H,3,12H2,1-2H3,(H,23,24)
InChIKeyUEOUKVYNYFXWNC-UHFFFAOYSA-N
XLogP4.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate
CID 9123175
ethyl 2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]benzoate
CID 19172378
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
ethyl 2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682452
N-(4-bromophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123007
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
N-[(2S)-butan-2-yl]-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123252
1-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62040002
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
ethyl 2-[[2-[2-(4-fluorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7791717
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 33268113
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate (CID 9123178) is ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccc(-c2nc(C)cs2)cc1.
What is the InChIKey of ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
The InChIKey is UEOUKVYNYFXWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-3-26-21(25)17-6-4-5-7-18(17)23-19(24)12-27-16-10-8-15(9-11-16)20-22-14(2)13-28-20/h4-11,13H,3,12H2,1-2H3,(H,23,24).
What are the key properties of ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate?
ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate has a molecular weight of 396.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 9123178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).