methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C19H25N3O7S2 — CID 44922187

IUPACmethyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1
InChIInChI=1S/C19H25N3O7S2/c1-13-16(18(24)29-4)30-19(20-13)21-17(23)14-5-7-15(8-6-14)31(25,26)22(9-11-27-2)10-12-28-3/h5-8H,9-12H2,1-4H3,(H,20,21,23)
InChIKeyFOUKNQHRZVLJLR-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.77
Rot. Bonds11

About methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 44922187) has the molecular formula C19H25N3O7S2 and a molecular weight of 471.56 g/mol. Its IUPAC name is methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID44922187
Molecular FormulaC19H25N3O7S2
Molecular Weight471.56 g/mol
Exact Mass471.11
IUPAC Namemethyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1
InChIInChI=1S/C19H25N3O7S2/c1-13-16(18(24)29-4)30-19(20-13)21-17(23)14-5-7-15(8-6-14)31(25,26)22(9-11-27-2)10-12-28-3/h5-8H,9-12H2,1-4H3,(H,20,21,23)
InChIKeyFOUKNQHRZVLJLR-UHFFFAOYSA-N
XLogP1.77
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3263875
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2324013
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3299690
4-[bis(2-methoxyethyl)sulfamoyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 44827026
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzamide
CID 4138980
methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 23763670
2-[(4-chlorophenyl)sulfonyl-(2-methoxyethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5078552
methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 78808645
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5074832
ethyl 4-methyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 26266832

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 44922187) is methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is FOUKNQHRZVLJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O7S2/c1-13-16(18(24)29-4)30-19(20-13)21-17(23)14-5-7-15(8-6-14)31(25,26)22(9-11-27-2)10-12-28-3/h5-8H,9-12H2,1-4H3,(H,20,21,23).
What are the key properties of methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 471.56 g/mol, XLogP of 1.77, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 44922187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).