N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide

C23H25N3O6S — CID 30859891

IUPACN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1
InChIInChI=1S/C23H25N3O6S/c1-3-24-22(27)15-32-18-9-7-17(8-10-18)26-23(28)21-13-20(11-6-16(21)2)33(29,30)25-14-19-5-4-12-31-19/h4-13,25H,3,14-15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyUIBFPKUXMYAUFS-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.83
Rot. Bonds10

About N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide

N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide (PubChem CID 30859891) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
PubChem CID30859891
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
SMILESCCNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1
InChIInChI=1S/C23H25N3O6S/c1-3-24-22(27)15-32-18-9-7-17(8-10-18)26-23(28)21-13-20(11-6-16(21)2)33(29,30)25-14-19-5-4-12-31-19/h4-13,25H,3,14-15H2,1-2H3,(H,24,27)(H,26,28)
InChIKeyUIBFPKUXMYAUFS-UHFFFAOYSA-N
XLogP2.83
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 46412122
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 17106098
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 43015178
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 32941425

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide (CID 30859891) is N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide is CCNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
The InChIKey is UIBFPKUXMYAUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-3-24-22(27)15-32-18-9-7-17(8-10-18)26-23(28)21-13-20(11-6-16(21)2)33(29,30)25-14-19-5-4-12-31-19/h4-13,25H,3,14-15H2,1-2H3,(H,24,27)(H,26,28).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide?
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide has a molecular weight of 471.54 g/mol, XLogP of 2.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide is sourced from PubChem (CID 30859891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).