3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide

C22H30N2O6S — CID 2976044

IUPAC3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H30N2O6S/c1-4-28-15-7-14-23-31(26,27)19-11-9-18(10-12-19)24-22(25)17-8-13-20(29-5-2)21(16-17)30-6-3/h8-13,16,23H,4-7,14-15H2,1-3H3,(H,24,25)
InChIKeyNVCOUXUEGSFIFW-UHFFFAOYSA-N
MW450.56 g/mol
LogP3.44
Rot. Bonds13

About 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide

3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide (PubChem CID 2976044) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
PubChem CID2976044
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC Name3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
SMILESCCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C22H30N2O6S/c1-4-28-15-7-14-23-31(26,27)19-11-9-18(10-12-19)24-22(25)17-8-13-20(29-5-2)21(16-17)30-6-3/h8-13,16,23H,4-7,14-15H2,1-3H3,(H,24,25)
InChIKeyNVCOUXUEGSFIFW-UHFFFAOYSA-N
XLogP3.44
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55346054
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26698637
N-[4-(dimethylsulfamoyl)phenyl]-3-ethoxy-4-propoxybenzamide
CID 9494456
N-(3,4-dipropoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 26878614
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
N-[4-(hexylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 4694490
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
3,4-diethoxy-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 55551961

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide (CID 2976044) is 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide is CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OCC)c(OCC)c2)cc1.
What is the InChIKey of 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide?
The InChIKey is NVCOUXUEGSFIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-4-28-15-7-14-23-31(26,27)19-11-9-18(10-12-19)24-22(25)17-8-13-20(29-5-2)21(16-17)30-6-3/h8-13,16,23H,4-7,14-15H2,1-3H3,(H,24,25).
What are the key properties of 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide?
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide has a molecular weight of 450.56 g/mol, XLogP of 3.44, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2976044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).