ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate

C17H21N3O5S2 — CID 24598327

IUPACethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)n1
InChIInChI=1S/C17H21N3O5S2/c1-5-25-15(21)8-13-9-26-17(19-13)20-16(22)12-6-10(2)11(3)14(7-12)27(23,24)18-4/h6-7,9,18H,5,8H2,1-4H3,(H,19,20,22)
InChIKeyQZCSZMFTDYIFDV-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.03
Rot. Bonds7

About ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 24598327) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID24598327
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Nameethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)n1
InChIInChI=1S/C17H21N3O5S2/c1-5-25-15(21)8-13-9-26-17(19-13)20-16(22)12-6-10(2)11(3)14(7-12)27(23,24)18-4/h6-7,9,18H,5,8H2,1-4H3,(H,19,20,22)
InChIKeyQZCSZMFTDYIFDV-UHFFFAOYSA-N
XLogP2.03
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24598343
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55374519
ethyl 2-[2-[[2-(1,3-difluoropropan-2-yloxy)-6-propan-2-yloxypyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 87420005
ethyl 2-[2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66335727
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 24598327) is ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cc(C)c(C)c(S(=O)(=O)NC)c2)n1.
What is the InChIKey of ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is QZCSZMFTDYIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-5-25-15(21)8-13-9-26-17(19-13)20-16(22)12-6-10(2)11(3)14(7-12)27(23,24)18-4/h6-7,9,18H,5,8H2,1-4H3,(H,19,20,22).
What are the key properties of ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 411.51 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 24598327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).