N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide

C20H24N2O5S — CID 9009711

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1
InChIInChI=1S/C20H24N2O5S/c1-3-4-13-22(2)28(25,26)18-11-9-17(10-12-18)21-20(24)15-27-19-8-6-5-7-16(19)14-23/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,24)
InChIKeyMBTLCAOSQMHJLS-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.94
Rot. Bonds10

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide (PubChem CID 9009711) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide
PubChem CID9009711
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1
InChIInChI=1S/C20H24N2O5S/c1-3-4-13-22(2)28(25,26)18-11-9-17(10-12-18)21-20(24)15-27-19-8-6-5-7-16(19)14-23/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,24)
InChIKeyMBTLCAOSQMHJLS-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733
N-[4-(diethylsulfamoyl)phenyl]-2-(2-formylphenoxy)acetamide
CID 7763002
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 9218220
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8750734
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
2-(2-tert-butylphenoxy)-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 17050666
2-(2-tert-butylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 17050654
N-[3-(dimethylamino)propyl]-2-(2-formylphenoxy)acetamide
CID 134050472
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609973

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide (CID 9009711) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide?
The InChIKey is MBTLCAOSQMHJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-4-13-22(2)28(25,26)18-11-9-17(10-12-18)21-20(24)15-27-19-8-6-5-7-16(19)14-23/h5-12,14H,3-4,13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 9009711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).