4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide

C18H22N2O4S — CID 9219673

IUPAC4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14-5-9-16(10-6-14)24-13-3-4-18(21)20-15-7-11-17(12-8-15)25(22,23)19-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyANDNBESKHQUYSK-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.70
Rot. Bonds8

About 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide

4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide (PubChem CID 9219673) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
PubChem CID9219673
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O4S/c1-14-5-9-16(10-6-14)24-13-3-4-18(21)20-15-7-11-17(12-8-15)25(22,23)19-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyANDNBESKHQUYSK-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
N-[4-methyl-3-(methylsulfamoyl)phenyl]-4-(4-methylphenoxy)butanamide
CID 9107112
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
1-(4-methylphenyl)sulfonyl-3-[4-[3-[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenoxy]propoxy]phenyl]urea
CID 139757137
2-[4-[4-[(2-methylpropan-2-yl)oxy]butanoylamino]phenoxy]ethyl 4-methylbenzenesulfonate
CID 139895456
3-[4-(4-propan-2-yloxybutanoylamino)phenoxy]propyl 4-methylbenzenesulfonate
CID 139895594
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 3568718
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521
N-[4-(dimethylsulfamoyl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 8917809
N-[4-(4-ethoxyphenoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55363172
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide (CID 9219673) is 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is ANDNBESKHQUYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-5-9-16(10-6-14)24-13-3-4-18(21)20-15-7-11-17(12-8-15)25(22,23)19-2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide?
4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 362.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 9219673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).