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

C16H19ClN4O5S2 — CID 55419195

IUPAC(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nnsc2Cl)cc1
InChIInChI=1S/C16H19ClN4O5S2/c1-3-21(4-2)28(24,25)12-7-5-11(6-8-12)16(23)18-9-14(22)26-10-13-15(17)27-20-19-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,23)
InChIKeyDBNJRHJNZVTLNJ-UHFFFAOYSA-N
MW446.94 g/mol
LogP1.70
Rot. Bonds9

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

(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 55419195) has the molecular formula C16H19ClN4O5S2 and a molecular weight of 446.94 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID55419195
Molecular FormulaC16H19ClN4O5S2
Molecular Weight446.94 g/mol
Exact Mass446.05
IUPAC Name(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nnsc2Cl)cc1
InChIInChI=1S/C16H19ClN4O5S2/c1-3-21(4-2)28(24,25)12-7-5-11(6-8-12)16(23)18-9-14(22)26-10-13-15(17)27-20-19-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,23)
InChIKeyDBNJRHJNZVTLNJ-UHFFFAOYSA-N
XLogP1.70
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(5-chlorothiadiazol-4-yl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 46617152
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304005
(3-methoxyphenyl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 46548136
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356749
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304152
(3-phenyl-1,2-oxazol-5-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55474493
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42982566
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356727
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42964227
(5-chlorothiadiazol-4-yl)methyl 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 31554533
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304134
[2-(3-acetylanilino)-2-oxoethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304230

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate (CID 55419195) is (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)OCc2nnsc2Cl)cc1.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is DBNJRHJNZVTLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O5S2/c1-3-21(4-2)28(24,25)12-7-5-11(6-8-12)16(23)18-9-14(22)26-10-13-15(17)27-20-19-13/h5-8H,3-4,9-10H2,1-2H3,(H,18,23).
What are the key properties of (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate?
(5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 446.94 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 55419195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).