N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide

C20H26N2O5S — CID 43007962

IUPACN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-16(15-26-2)22-28(24,25)19-12-10-17(11-13-19)21-20(23)9-6-14-27-18-7-4-3-5-8-18/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3,(H,21,23)
InChIKeyGINICTRHJPRNCX-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.80
Rot. Bonds11

About N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide (PubChem CID 43007962) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
PubChem CID43007962
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1
InChIInChI=1S/C20H26N2O5S/c1-16(15-26-2)22-28(24,25)19-12-10-17(11-13-19)21-20(23)9-6-14-27-18-7-4-3-5-8-18/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3,(H,21,23)
InChIKeyGINICTRHJPRNCX-UHFFFAOYSA-N
XLogP2.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 51548997
2-(3-ethylphenoxy)-N-[4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 51549053
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
CID 43035683
4-(2-hydroxyethoxy)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107110952

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide (CID 43007962) is N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide is COCC(C)NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1.
What is the InChIKey of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide?
The InChIKey is GINICTRHJPRNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-16(15-26-2)22-28(24,25)19-12-10-17(11-13-19)21-20(23)9-6-14-27-18-7-4-3-5-8-18/h3-5,7-8,10-13,16,22H,6,9,14-15H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide?
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide has a molecular weight of 406.50 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 43007962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).