N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide

C20H26N2O4S — CID 2947116

IUPACN-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)C(CC)Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-5-15-21-27(24,25)18-13-11-16(12-14-18)22-20(23)19(4-2)26-17-9-7-6-8-10-17/h6-14,19,21H,3-5,15H2,1-2H3,(H,22,23)
InChIKeyIMKVXDRDZBDMAB-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.56
Rot. Bonds10

About N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide

N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide (PubChem CID 2947116) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide
PubChem CID2947116
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)C(CC)Oc2ccccc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-5-15-21-27(24,25)18-13-11-16(12-14-18)22-20(23)19(4-2)26-17-9-7-6-8-10-17/h6-14,19,21H,3-5,15H2,1-2H3,(H,22,23)
InChIKeyIMKVXDRDZBDMAB-UHFFFAOYSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.56
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-(hexylsulfamoyl)phenyl]-2-phenoxybutanamide
CID 5067707
N-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-2-phenoxybutanamide
CID 132672040
2-(3-methylphenoxy)-N-[4-(phenylsulfamoyl)phenyl]butanamide
CID 4928389
(2R)-N-(4-iodophenyl)-2-phenoxybutanamide
CID 1369955
2-phenoxy-N-phenylhexanamide
CID 70624716
(2S)-2-phenoxy-N-[4-(2-phenoxyethoxy)phenyl]butanamide
CID 9296848
2-phenoxy-N-(4-phenyldiazenylphenyl)butanamide
CID 3643695
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
2-(benzenesulfonamido)ethylsulfinyl 2-phenoxybutanoate
CID 67586390
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)butanamide
CID 4950024

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide (CID 2947116) is N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide is CCCCNS(=O)(=O)c1ccc(NC(=O)C(CC)Oc2ccccc2)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide?
The InChIKey is IMKVXDRDZBDMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-5-15-21-27(24,25)18-13-11-16(12-14-18)22-20(23)19(4-2)26-17-9-7-6-8-10-17/h6-14,19,21H,3-5,15H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide?
N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide has a molecular weight of 390.51 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-2-phenoxybutanamide is sourced from PubChem (CID 2947116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).