4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide

C21H28N2O5S — CID 24548500

IUPAC4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(OC)c(S(=O)(=O)NCCOC)c1)c1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-4-16(17-8-6-5-7-9-17)15-22-21(24)18-10-11-19(28-3)20(14-18)29(25,26)23-12-13-27-2/h5-11,14,16,23H,4,12-13,15H2,1-3H3,(H,22,24)
InChIKeyFCKURYUFOIEGSW-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.54
Rot. Bonds11

About 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide

4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide (PubChem CID 24548500) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide
PubChem CID24548500
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(OC)c(S(=O)(=O)NCCOC)c1)c1ccccc1
InChIInChI=1S/C21H28N2O5S/c1-4-16(17-8-6-5-7-9-17)15-22-21(24)18-10-11-19(28-3)20(14-18)29(25,26)23-12-13-27-2/h5-11,14,16,23H,4,12-13,15H2,1-3H3,(H,22,24)
InChIKeyFCKURYUFOIEGSW-UHFFFAOYSA-N
XLogP2.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.54
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

4-methoxy-3-(2-methoxyethylsulfamoyl)benzoate
CID 2119868
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
CID 55773551
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
3-(ethylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 45373616
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279
3-(2-methoxyethylsulfamoyl)-4-[[(1S)-1-phenylethyl]amino]benzoic acid
CID 99978841
N-butan-2-yl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 17027131
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
N-(2-amino-2-phenylethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119527433

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
The IUPAC name of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide (CID 24548500) is 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(OC)c(S(=O)(=O)NCCOC)c1)c1ccccc1.
What is the InChIKey of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
The InChIKey is FCKURYUFOIEGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-4-16(17-8-6-5-7-9-17)15-22-21(24)18-10-11-19(28-3)20(14-18)29(25,26)23-12-13-27-2/h5-11,14,16,23H,4,12-13,15H2,1-3H3,(H,22,24).
What are the key properties of 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide?
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide has a molecular weight of 420.53 g/mol, XLogP of 2.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 24548500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).