ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate

C21H29N3O5S2 — CID 3646213

IUPACethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCC)cs2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-4-7-13-24(14-8-5-2)31(27,28)17-11-9-16(10-12-17)19(25)23-21-22-18(15-30-21)20(26)29-6-3/h9-12,15H,4-8,13-14H2,1-3H3,(H,22,23,25)
InChIKeyBCYPMXOBVWTLTM-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.16
Rot. Bonds12

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

ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 3646213) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID3646213
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC Nameethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCC)cs2)cc1
InChIInChI=1S/C21H29N3O5S2/c1-4-7-13-24(14-8-5-2)31(27,28)17-11-9-16(10-12-17)19(25)23-21-22-18(15-30-21)20(26)29-6-3/h9-12,15H,4-8,13-14H2,1-3H3,(H,22,23,25)
InChIKeyBCYPMXOBVWTLTM-UHFFFAOYSA-N
XLogP4.16
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 5079660
ethyl 2-[[4-[4-[(4-ethoxycarbonyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 5218735
ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
ethyl 2-[[4-(methylsulfonylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 51146352
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333508
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
ethyl 2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]-1,3-thiazole-4-carboxylate
CID 55358566
4-(dipropylsulfamoyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5066682
ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55333801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate (CID 3646213) is ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCC)cs2)cc1.
What is the InChIKey of ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is BCYPMXOBVWTLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-4-7-13-24(14-8-5-2)31(27,28)17-11-9-16(10-12-17)19(25)23-21-22-18(15-30-21)20(26)29-6-3/h9-12,15H,4-8,13-14H2,1-3H3,(H,22,23,25).
What are the key properties of ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 467.61 g/mol, XLogP of 4.16, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 3646213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).