N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide

C20H26N2O5S — CID 26698637

IUPACN-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(OCC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-4-6-12-21-28(24,25)17-9-7-8-16(14-17)22-20(23)15-10-11-18(27-5-2)19(13-15)26-3/h7-11,13-14,21H,4-6,12H2,1-3H3,(H,22,23)
InChIKeyOJXFAIJGCRLZAN-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.42
Rot. Bonds10

About N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide

N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide (PubChem CID 26698637) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
PubChem CID26698637
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(OCC)c(OC)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-4-6-12-21-28(24,25)17-9-7-8-16(14-17)22-20(23)15-10-11-18(27-5-2)19(13-15)26-3/h7-11,13-14,21H,4-6,12H2,1-3H3,(H,22,23)
InChIKeyOJXFAIJGCRLZAN-UHFFFAOYSA-N
XLogP3.42
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
4-(2-amino-2-oxoethoxy)-N-[3-(butylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 24512899
4-hexoxy-3-methoxy-N-(3-methylsulfonylphenyl)benzamide
CID 9071230
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-[3-(butylsulfamoyl)phenyl]-3-(ethylsulfonylamino)benzamide
CID 24672448
N-[3-(butylsulfamoyl)phenyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24513463
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3-methoxyphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061401
N-(2-methoxyphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065384
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
CID 2976044
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide (CID 26698637) is N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide is CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(OCC)c(OC)c2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is OJXFAIJGCRLZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-6-12-21-28(24,25)17-9-7-8-16(14-17)22-20(23)15-10-11-18(27-5-2)19(13-15)26-3/h7-11,13-14,21H,4-6,12H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide?
N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide has a molecular weight of 406.50 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 26698637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).