ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate

C20H27N3O5S2 — CID 5079660

IUPACethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1
InChIInChI=1S/C20H27N3O5S2/c1-4-7-12-23(5-2)30(26,27)17-10-8-15(9-11-17)19(25)22-20-21-16(14-29-20)13-18(24)28-6-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,22,25)
InChIKeyONKCLYJOWZRYFE-UHFFFAOYSA-N
MW453.59 g/mol
LogP3.31
Rot. Bonds11

About ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 5079660) has the molecular formula C20H27N3O5S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID5079660
Molecular FormulaC20H27N3O5S2
Molecular Weight453.59 g/mol
Exact Mass453.14
IUPAC Nameethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1
InChIInChI=1S/C20H27N3O5S2/c1-4-7-12-23(5-2)30(26,27)17-10-8-15(9-11-17)19(25)22-20-21-16(14-29-20)13-18(24)28-6-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,22,25)
InChIKeyONKCLYJOWZRYFE-UHFFFAOYSA-N
XLogP3.31
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 3646213
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
ethyl 2-[2-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 41038012
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 17309220
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
4-[butyl(ethyl)sulfamoyl]-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2473350
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945
4-[butyl(ethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 26841074

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 5079660) is ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1.
What is the InChIKey of ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ONKCLYJOWZRYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S2/c1-4-7-12-23(5-2)30(26,27)17-10-8-15(9-11-17)19(25)22-20-21-16(14-29-20)13-18(24)28-6-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,22,25).
What are the key properties of ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 453.59 g/mol, XLogP of 3.31, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 5079660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).