4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide

C21H28N2O5S — CID 55812224

IUPAC4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-5-6-13-28-19-12-9-17(14-20(19)27-4)21(24)22-15-16-7-10-18(11-8-16)29(25,26)23(2)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24)
InChIKeyHZGNGWPPOXNREY-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.05
Rot. Bonds10

About 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide

4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide (PubChem CID 55812224) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
PubChem CID55812224
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC Name4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC
InChIInChI=1S/C21H28N2O5S/c1-5-6-13-28-19-12-9-17(14-20(19)27-4)21(24)22-15-16-7-10-18(11-8-16)29(25,26)23(2)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24)
InChIKeyHZGNGWPPOXNREY-UHFFFAOYSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
4-butoxy-3-methoxy-N-[[3-(methylsulfamoyl)phenyl]methyl]benzamide
CID 34637912
4-butoxy-3-ethoxy-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]benzamide
CID 108759094
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 56552080
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide
CID 19014684
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 39971484

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide (CID 55812224) is 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC.
What is the InChIKey of 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide?
The InChIKey is HZGNGWPPOXNREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-5-6-13-28-19-12-9-17(14-20(19)27-4)21(24)22-15-16-7-10-18(11-8-16)29(25,26)23(2)3/h7-12,14H,5-6,13,15H2,1-4H3,(H,22,24).
What are the key properties of 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide?
4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide has a molecular weight of 420.53 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 55812224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).