N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide

C21H28N2O4S — CID 9218220

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCOc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-5-15-23(3)28(25,26)19-12-10-18(11-13-19)22-21(24)14-16-27-20-9-7-6-8-17(20)2/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyPQMNBMRAOHHNQN-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.82
Rot. Bonds10

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide (PubChem CID 9218220) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
PubChem CID9218220
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCOc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O4S/c1-4-5-15-23(3)28(25,26)19-12-10-18(11-13-19)22-21(24)14-16-27-20-9-7-6-8-17(20)2/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)
InChIKeyPQMNBMRAOHHNQN-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-formylphenoxy)acetamide
CID 9009711
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 7948733
3-(2-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9219325
2-[4-[butyl(methyl)sulfamoyl]anilino]-N-(4-fluorophenyl)acetamide
CID 24616569
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8750734
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2-(2-fluorophenyl)acetamide
CID 7733392
ethyl 4-[methyl-[2-(2-methylphenoxy)ethyl]sulfamoyl]benzoate
CID 17465115
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
3-(2-methylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 9153894
N,4-dimethyl-N-[2-[2-[4-(2-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 55531915
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544444
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide (CID 9218220) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)CCOc2ccccc2C)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is PQMNBMRAOHHNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-4-5-15-23(3)28(25,26)19-12-10-18(11-13-19)22-21(24)14-16-27-20-9-7-6-8-17(20)2/h6-13H,4-5,14-16H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 404.53 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 9218220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).