(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate

C18H14ClN3O4S — CID 46617152

IUPAC(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1nnsc1Cl
InChIInChI=1S/C18H14ClN3O4S/c19-17-15(21-22-27-17)11-25-16(23)10-20-18(24)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,24)
InChIKeyYSHXWEPSAHUTRK-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.46
Rot. Bonds7

About (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate

(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 46617152) has the molecular formula C18H14ClN3O4S and a molecular weight of 403.85 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID46617152
Molecular FormulaC18H14ClN3O4S
Molecular Weight403.85 g/mol
Exact Mass403.04
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1nnsc1Cl
InChIInChI=1S/C18H14ClN3O4S/c19-17-15(21-22-27-17)11-25-16(23)10-20-18(24)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,24)
InChIKeyYSHXWEPSAHUTRK-UHFFFAOYSA-N
XLogP3.46
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55419195
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833356
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
(5-fluoroquinolin-8-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 55648920
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 18266905
(2-amino-2-oxo-1-phenylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 16596540
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate (CID 46617152) is (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1nnsc1Cl.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is YSHXWEPSAHUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4S/c19-17-15(21-22-27-17)11-25-16(23)10-20-18(24)12-6-8-14(9-7-12)26-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,24).
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate?
(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 403.85 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 46617152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).