2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate

C18H24N2O5S2 — CID 46607488

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCCn2c(C)csc2=O)ccc1C
InChIInChI=1S/C18H24N2O5S2/c1-5-19(6-2)27(23,24)16-11-15(8-7-13(16)3)17(21)25-10-9-20-14(4)12-26-18(20)22/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyOOSWIRPTHZYDGV-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.41
Rot. Bonds8

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate (PubChem CID 46607488) has the molecular formula C18H24N2O5S2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
PubChem CID46607488
Molecular FormulaC18H24N2O5S2
Molecular Weight412.53 g/mol
Exact Mass412.11
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCCn2c(C)csc2=O)ccc1C
InChIInChI=1S/C18H24N2O5S2/c1-5-19(6-2)27(23,24)16-11-15(8-7-13(16)3)17(21)25-10-9-20-14(4)12-26-18(20)22/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKeyOOSWIRPTHZYDGV-UHFFFAOYSA-N
XLogP2.41
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylphenoxy)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545764
(2-anilino-2-oxoethyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546179
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546315
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 46607906
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546066
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780
(4-chlorophenyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 1381664
(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)-4-methylbenzoate
CID 4289965
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 55319718
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 42901298
(4-pyrazol-1-ylphenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 27028144
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546286

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate (CID 46607488) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCCn2c(C)csc2=O)ccc1C.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate?
The InChIKey is OOSWIRPTHZYDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S2/c1-5-19(6-2)27(23,24)16-11-15(8-7-13(16)3)17(21)25-10-9-20-14(4)12-26-18(20)22/h7-8,11-12H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate has a molecular weight of 412.53 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate is sourced from PubChem (CID 46607488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).