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

C18H23N3O6S2 — CID 55333801

IUPACethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)n1
InChIInChI=1S/C18H23N3O6S2/c1-5-21(6-2)29(24,25)15-10-12(8-9-14(15)26-4)16(22)20-18-19-13(11-28-18)17(23)27-7-3/h8-11H,5-7H2,1-4H3,(H,19,20,22)
InChIKeyIZSOGDGVHPYOQK-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.61
Rot. Bonds9

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

ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 55333801) has the molecular formula C18H23N3O6S2 and a molecular weight of 441.53 g/mol. Its IUPAC name is ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID55333801
Molecular FormulaC18H23N3O6S2
Molecular Weight441.53 g/mol
Exact Mass441.10
IUPAC Nameethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)n1
InChIInChI=1S/C18H23N3O6S2/c1-5-21(6-2)29(24,25)15-10-12(8-9-14(15)26-4)16(22)20-18-19-13(11-28-18)17(23)27-7-3/h8-11H,5-7H2,1-4H3,(H,19,20,22)
InChIKeyIZSOGDGVHPYOQK-UHFFFAOYSA-N
XLogP2.61
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
N-(4-acetyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55435187
ethyl 2-[[3-(dimethylsulfamoyl)-4,5-dimethylbenzoyl]amino]-1,3-thiazole-4-carboxylate
CID 55374519
ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 3646213
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 26251702
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333562
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-(methylsulfonylmethyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 51146352
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 16550486
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
ethyl 2-[(4-cyanobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 748001

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate (CID 55333801) is ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)n1.
What is the InChIKey of ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is IZSOGDGVHPYOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6S2/c1-5-21(6-2)29(24,25)15-10-12(8-9-14(15)26-4)16(22)20-18-19-13(11-28-18)17(23)27-7-3/h8-11H,5-7H2,1-4H3,(H,19,20,22).
What are the key properties of ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(diethylsulfamoyl)-4-methoxybenzoyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55333801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).