N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide

C19H22F2N2O3S — CID 46547078

IUPACN-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O3S/c1-2-3-11-22-27(25,26)16-6-4-5-15(13-16)23-19(24)10-8-14-7-9-17(20)18(21)12-14/h4-7,9,12-13,22H,2-3,8,10-11H2,1H3,(H,23,24)
InChIKeyABRDOYWFLOLCMA-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.61
Rot. Bonds9

About N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide

N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide (PubChem CID 46547078) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
PubChem CID46547078
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C19H22F2N2O3S/c1-2-3-11-22-27(25,26)16-6-4-5-15(13-16)23-19(24)10-8-14-7-9-17(20)18(21)12-14/h4-7,9,12-13,22H,2-3,8,10-11H2,1H3,(H,23,24)
InChIKeyABRDOYWFLOLCMA-UHFFFAOYSA-N
XLogP3.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
N-[3-(butylsulfamoyl)phenyl]-2-(2,4-dichlorophenyl)acetamide
CID 17419461
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(3,4-difluorophenyl)propanamide
CID 55609087
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305
N-[3-(butylsulfamoyl)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24612056
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 86979332
N-[3-(butylsulfamoyl)phenyl]-2-diethoxyphosphorylacetamide
CID 3854038
N-[3-[3-(butylsulfamoyl)anilino]-3-oxopropyl]furan-3-carboxamide
CID 38748493
N-[3-(butylsulfamoyl)phenyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24532840
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(butylsulfamoyl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 8510926

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide (CID 46547078) is N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide is CCCCNS(=O)(=O)c1cccc(NC(=O)CCc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide?
The InChIKey is ABRDOYWFLOLCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-2-3-11-22-27(25,26)16-6-4-5-15(13-16)23-19(24)10-8-14-7-9-17(20)18(21)12-14/h4-7,9,12-13,22H,2-3,8,10-11H2,1H3,(H,23,24).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide?
N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide has a molecular weight of 396.46 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-3-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 46547078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).