[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C21H27N3O5S2 — CID 16519558

About [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 16519558) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
• PubChem CID: 16519558
• Molecular Formula: C21H27N3O5S2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.14
• IUPAC Name: [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
• SMILES: Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)s1
• InChI: InChI=1S/C21H27N3O5S2/c1-14-20(30-15(2)22-14)21(26)29-13-19(25)23-17-11-7-8-12-18(17)31(27,28)24(3)16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3,(H,23,25)
• InChIKey: BALVDOOMOCERBP-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 105.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?

The IUPAC name of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 16519558) is [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?

The canonical SMILES for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)s1.

What is the InChIKey of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?

The InChIKey is BALVDOOMOCERBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-14-20(30-15(2)22-14)21(26)29-13-19(25)23-17-11-7-8-12-18(17)31(27,28)24(3)16-9-5-4-6-10-16/h7-8,11-12,16H,4-6,9-10,13H2,1-3H3,(H,23,25).

What are the key properties of [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?

[2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 465.60 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16519558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).