ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate

C20H18FN3O5S2 — CID 24645892

IUPACethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O5S2/c1-2-29-18(25)11-14-12-30-20(22-14)23-19(26)16-5-3-4-6-17(16)24-31(27,28)15-9-7-13(21)8-10-15/h3-10,12,24H,2,11H2,1H3,(H,22,23,26)
InChIKeyLPHMIPWREQLYAX-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.44
Rot. Bonds8

About ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 24645892) has the molecular formula C20H18FN3O5S2 and a molecular weight of 463.51 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID24645892
Molecular FormulaC20H18FN3O5S2
Molecular Weight463.51 g/mol
Exact Mass463.07
IUPAC Nameethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN3O5S2/c1-2-29-18(25)11-14-12-30-20(22-14)23-19(26)16-5-3-4-6-17(16)24-31(27,28)15-9-7-13(21)8-10-15/h3-10,12,24H,2,11H2,1H3,(H,22,23,26)
InChIKeyLPHMIPWREQLYAX-UHFFFAOYSA-N
XLogP3.44
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 24645892) is ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is LPHMIPWREQLYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5S2/c1-2-29-18(25)11-14-12-30-20(22-14)23-19(26)16-5-3-4-6-17(16)24-31(27,28)15-9-7-13(21)8-10-15/h3-10,12,24H,2,11H2,1H3,(H,22,23,26).
What are the key properties of ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 463.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 24645892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).