4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide

C21H28N2O4S — CID 46655114

IUPAC4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1ccccc1
InChIInChI=1S/C21H28N2O4S/c1-5-9-18(16-10-7-6-8-11-16)22-21(24)17-12-13-19(27-4)20(14-17)28(25,26)23-15(2)3/h6-8,10-15,18,23H,5,9H2,1-4H3,(H,22,24)
InChIKeyIIQKNEZFUGBRBS-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.65
Rot. Bonds9

About 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46655114) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46655114
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1ccccc1
InChIInChI=1S/C21H28N2O4S/c1-5-9-18(16-10-7-6-8-11-16)22-21(24)17-12-13-19(27-4)20(14-17)28(25,26)23-15(2)3/h6-8,10-15,18,23H,5,9H2,1-4H3,(H,22,24)
InChIKeyIIQKNEZFUGBRBS-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
methyl 3-(4-fluorophenyl)-3-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55995317
N-[(1S)-1-(3-bromophenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557646
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 40742236
N-benzhydryl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373733
3-(ethylsulfamoyl)-4-methoxy-N-[(2S)-pentan-2-yl]benzamide
CID 25419357
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645477
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
N-[(1R)-1-(1-adamantyl)propyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 51872779
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 46655114) is 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide is CCCC(NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)c1ccccc1.
What is the InChIKey of 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is IIQKNEZFUGBRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-9-18(16-10-7-6-8-11-16)22-21(24)17-12-13-19(27-4)20(14-17)28(25,26)23-15(2)3/h6-8,10-15,18,23H,5,9H2,1-4H3,(H,22,24).
What are the key properties of 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).