N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

C24H23N3O5S2 — CID 43947496

IUPACN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n2)cc1
InChIInChI=1S/C24H23N3O5S2/c1-3-31-19-10-6-17(7-11-19)22-16-33-24(25-22)26-23(28)18-8-12-21(13-9-18)34(29,30)27(2)15-20-5-4-14-32-20/h4-14,16H,3,15H2,1-2H3,(H,25,26,28)
InChIKeyKXANZMDKGPWGBI-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.87
Rot. Bonds9

About N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide

N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (PubChem CID 43947496) has the molecular formula C24H23N3O5S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
PubChem CID43947496
Molecular FormulaC24H23N3O5S2
Molecular Weight497.60 g/mol
Exact Mass497.11
IUPAC NameN-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n2)cc1
InChIInChI=1S/C24H23N3O5S2/c1-3-31-19-10-6-17(7-11-19)22-16-33-24(25-22)26-23(28)18-8-12-21(13-9-18)34(29,30)27(2)15-20-5-4-14-32-20/h4-14,16H,3,15H2,1-2H3,(H,25,26,28)
InChIKeyKXANZMDKGPWGBI-UHFFFAOYSA-N
XLogP4.87
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947495
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 55661935
4-(furan-2-ylmethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 17404485
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 16831206
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5129133
4-[furan-2-ylmethyl(methyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 7656179
4-[benzyl(methyl)sulfamoyl]-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4181220
N-(furan-2-ylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 7510148

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide (CID 43947496) is N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is CCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccco4)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
The InChIKey is KXANZMDKGPWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S2/c1-3-31-19-10-6-17(7-11-19)22-16-33-24(25-22)26-23(28)18-8-12-21(13-9-18)34(29,30)27(2)15-20-5-4-14-32-20/h4-14,16H,3,15H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide?
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide has a molecular weight of 497.60 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 43947496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).