N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide

C17H20N2O4S — CID 9219640

IUPACN-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-18-24(21,22)16-11-9-14(10-12-16)19-17(20)8-5-13-23-15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13H2,1H3,(H,19,20)
InChIKeyUPAVFRWEWHGXIV-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.39
Rot. Bonds8

About N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide

N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide (PubChem CID 9219640) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
PubChem CID9219640
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-18-24(21,22)16-11-9-14(10-12-16)19-17(20)8-5-13-23-15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13H2,1H3,(H,19,20)
InChIKeyUPAVFRWEWHGXIV-UHFFFAOYSA-N
XLogP2.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.39
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

4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
3-[4-(methylsulfamoyl)phenyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 27650136
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 26425338
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-phenoxybutanamide
CID 4788551
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173519
4-(4-ethylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19176564
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55900939

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide (CID 9219640) is N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide is CNS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide?
The InChIKey is UPAVFRWEWHGXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-18-24(21,22)16-11-9-14(10-12-16)19-17(20)8-5-13-23-15-6-3-2-4-7-15/h2-4,6-7,9-12,18H,5,8,13H2,1H3,(H,19,20).
What are the key properties of N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide?
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide has a molecular weight of 348.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 9219640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).