N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C24H28N2O6S — CID 55347369

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OCC
InChIInChI=1S/C24H28N2O6S/c1-4-30-22-13-10-19(15-23(22)31-5-2)17(3)26-24(27)18-8-11-21(12-9-18)33(28,29)25-16-20-7-6-14-32-20/h6-15,17,25H,4-5,16H2,1-3H3,(H,26,27)
InChIKeySBECFPOMGDUKOG-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.05
Rot. Bonds11

About N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 55347369) has the molecular formula C24H28N2O6S and a molecular weight of 472.56 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID55347369
Molecular FormulaC24H28N2O6S
Molecular Weight472.56 g/mol
Exact Mass472.17
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OCC
InChIInChI=1S/C24H28N2O6S/c1-4-30-22-13-10-19(15-23(22)31-5-2)17(3)26-24(27)18-8-11-21(12-9-18)33(28,29)25-16-20-7-6-14-32-20/h6-15,17,25H,4-5,16H2,1-3H3,(H,26,27)
InChIKeySBECFPOMGDUKOG-UHFFFAOYSA-N
XLogP4.05
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 41277628
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 9418922
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 17459758
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
4-ethoxy-3-(furan-2-ylmethylsulfamoyl)-N-methylbenzamide
CID 171140383
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 41189111
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55707674
methyl 3-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]-3-(4-methylphenyl)propanoate
CID 55439968

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 55347369) is N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is CCOc1ccc(C(C)NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is SBECFPOMGDUKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6S/c1-4-30-22-13-10-19(15-23(22)31-5-2)17(3)26-24(27)18-8-11-21(12-9-18)33(28,29)25-16-20-7-6-14-32-20/h6-15,17,25H,4-5,16H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 472.56 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 55347369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).