N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C23H27N3O5S2 — CID 42025141

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C23H27N3O5S2/c1-5-26(6-2)33(28,29)21-14-17(10-13-20(21)31-7-3)24-22(27)19-15-32-23(25-19)16-8-11-18(30-4)12-9-16/h8-15H,5-7H2,1-4H3,(H,24,27)
InChIKeyIJRANANUKDNHCM-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.50
Rot. Bonds10

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 42025141) has the molecular formula C23H27N3O5S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID42025141
Molecular FormulaC23H27N3O5S2
Molecular Weight489.62 g/mol
Exact Mass489.14
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C23H27N3O5S2/c1-5-26(6-2)33(28,29)21-14-17(10-13-20(21)31-7-3)24-22(27)19-15-32-23(25-19)16-8-11-18(30-4)12-9-16/h8-15H,5-7H2,1-4H3,(H,24,27)
InChIKeyIJRANANUKDNHCM-UHFFFAOYSA-N
XLogP4.50
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 17478688
2-(4-chlorophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 46678053
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823616
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 42025141) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(NC(=O)c2csc(-c3ccc(OC)cc3)n2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IJRANANUKDNHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5S2/c1-5-26(6-2)33(28,29)21-14-17(10-13-20(21)31-7-3)24-22(27)19-15-32-23(25-19)16-8-11-18(30-4)12-9-16/h8-15H,5-7H2,1-4H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42025141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).