ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate

C21H29N3O5S2 — CID 4152185

IUPACethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)n1
InChIInChI=1S/C21H29N3O5S2/c1-6-29-20(26)18-13-30-21(22-18)23-19(25)16-7-9-17(10-8-16)31(27,28)24(11-14(2)3)12-15(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,22,23,25)
InChIKeyCAXPIPCYSMCRCW-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.87
Rot. Bonds10

About ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 4152185) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID4152185
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC Nameethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)n1
InChIInChI=1S/C21H29N3O5S2/c1-6-29-20(26)18-13-30-21(22-18)23-19(25)16-7-9-17(10-8-16)31(27,28)24(11-14(2)3)12-15(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,22,23,25)
InChIKeyCAXPIPCYSMCRCW-UHFFFAOYSA-N
XLogP3.87
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate (CID 4152185) is ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)n1.
What is the InChIKey of ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is CAXPIPCYSMCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-6-29-20(26)18-13-30-21(22-18)23-19(25)16-7-9-17(10-8-16)31(27,28)24(11-14(2)3)12-15(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,22,23,25).
What are the key properties of ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 467.61 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[bis(2-methylpropyl)sulfamoyl]benzoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 4152185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).