methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate

C23H22F2N2O5S — CID 55519829

IUPACmethyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
SMILESCCc1ccc(-c2nc(CC(=O)Nc3cc(OC(F)F)c(OC)cc3C(=O)OC)cs2)cc1
InChIInChI=1S/C23H22F2N2O5S/c1-4-13-5-7-14(8-6-13)21-26-15(12-33-21)9-20(28)27-17-11-19(32-23(24)25)18(30-2)10-16(17)22(29)31-3/h5-8,10-12,23H,4,9H2,1-3H3,(H,27,28)
InChIKeyRWXYZLLIBXJWIO-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.95
Rot. Bonds9

About methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate

methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate (PubChem CID 55519829) has the molecular formula C23H22F2N2O5S and a molecular weight of 476.50 g/mol. Its IUPAC name is methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
PubChem CID55519829
Molecular FormulaC23H22F2N2O5S
Molecular Weight476.50 g/mol
Exact Mass476.12
IUPAC Namemethyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate
SMILESCCc1ccc(-c2nc(CC(=O)Nc3cc(OC(F)F)c(OC)cc3C(=O)OC)cs2)cc1
InChIInChI=1S/C23H22F2N2O5S/c1-4-13-5-7-14(8-6-13)21-26-15(12-33-21)9-20(28)27-17-11-19(32-23(24)25)18(30-2)10-16(17)22(29)31-3/h5-8,10-12,23H,4,9H2,1-3H3,(H,27,28)
InChIKeyRWXYZLLIBXJWIO-UHFFFAOYSA-N
XLogP4.95
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate with MolForge

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 18225445
methyl 4-(difluoromethoxy)-5-methoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 55520028
methyl 5-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-2-methoxybenzoate
CID 60527853
methyl 2,4-difluoro-5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24659350
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55776374
methyl 5-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2,4-difluorobenzoate
CID 24659325
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 52586012
N-(4,5-dimethoxy-2-methylphenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 26771723
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 43040385
(4-ethylphenyl) 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 26881766
N-(2-methoxy-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31759330
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate?
The IUPAC name of methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate (CID 55519829) is methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate.
What is the SMILES notation for methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate?
The canonical SMILES for methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate is CCc1ccc(-c2nc(CC(=O)Nc3cc(OC(F)F)c(OC)cc3C(=O)OC)cs2)cc1.
What is the InChIKey of methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate?
The InChIKey is RWXYZLLIBXJWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O5S/c1-4-13-5-7-14(8-6-13)21-26-15(12-33-21)9-20(28)27-17-11-19(32-23(24)25)18(30-2)10-16(17)22(29)31-3/h5-8,10-12,23H,4,9H2,1-3H3,(H,27,28).
What are the key properties of methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate?
methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate has a molecular weight of 476.50 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethoxy)-2-[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-5-methoxybenzoate is sourced from PubChem (CID 55519829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).