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

C17H21N3O5S2 — CID 2335480

IUPACethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1
InChIInChI=1S/C17H21N3O5S2/c1-4-20(5-2)27(23,24)13-9-7-12(8-10-13)15(21)19-17-18-14(11-26-17)16(22)25-6-3/h7-11H,4-6H2,1-3H3,(H,18,19,21)
InChIKeyGZZTURADYXHPLJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.60
Rot. Bonds8

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

ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 2335480) has the molecular formula C17H21N3O5S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID2335480
Molecular FormulaC17H21N3O5S2
Molecular Weight411.51 g/mol
Exact Mass411.09
IUPAC Nameethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1
InChIInChI=1S/C17H21N3O5S2/c1-4-20(5-2)27(23,24)13-9-7-12(8-10-13)15(21)19-17-18-14(11-26-17)16(22)25-6-3/h7-11H,4-6H2,1-3H3,(H,18,19,21)
InChIKeyGZZTURADYXHPLJ-UHFFFAOYSA-N
XLogP2.60
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 4050918
Ethyl 2-benzamido-1,3-thiazole-4-carboxylate
CID 4067950
Ethyl 4-(benzylamino)-3,5-thiazolecarboxylate
CID 15053550
Ethyl 2-[4-(pyrrolidine-1-sulfonyl)benzamido]-1,3-thiazole-4-carboxylate
CID 1185427
2-[[[4-(Diethylsulfamoyl)phenyl]-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
CID 1548434
Ethyl 2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2332698
Ethyl 4-methyl-2-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 2361864
N-(4-methyl-1,3-thiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2506795
Ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2565451
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2679326
Ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001
4-(4-Methyl-piperazine-1-sulfonyl)-N-(4-methyl-thiazol-2-yl)-benzamide
CID 24792428

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate (CID 2335480) is ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1.
What is the InChIKey of ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GZZTURADYXHPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S2/c1-4-20(5-2)27(23,24)13-9-7-12(8-10-13)15(21)19-17-18-14(11-26-17)16(22)25-6-3/h7-11H,4-6H2,1-3H3,(H,18,19,21).
What are the key properties of ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 411.51 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2335480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).