[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate

C22H23N3O5S2 — CID 2361840

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C22H23N3O5S2/c1-3-25(4-2)32(28,29)18-12-8-11-17(13-18)21(27)30-14-20(26)24-22-23-19(15-31-22)16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,24,26)
InChIKeyJNSHGBHMYOMUDM-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.64
Rot. Bonds9

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate (PubChem CID 2361840) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate
PubChem CID2361840
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C22H23N3O5S2/c1-3-25(4-2)32(28,29)18-12-8-11-17(13-18)21(27)30-14-20(26)24-22-23-19(15-31-22)16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,24,26)
InChIKeyJNSHGBHMYOMUDM-UHFFFAOYSA-N
XLogP3.64
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate with MolForge

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Related Compounds

3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 23931904
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2689622
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 4-fluorobenzoate
CID 23988138
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23943644
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-iodobenzoate
CID 2409334
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-nitrobenzoate
CID 7768587
[2-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802715
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 7044367
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate (CID 2361840) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate?
The InChIKey is JNSHGBHMYOMUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-3-25(4-2)32(28,29)18-12-8-11-17(13-18)21(27)30-14-20(26)24-22-23-19(15-31-22)16-9-6-5-7-10-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,24,26).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate has a molecular weight of 473.58 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2361840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).