N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide

C20H26FN3O5S2 — CID 24640292

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FN3O5S2/c1-3-24(4-2)31(28,29)19-13-9-17(10-14-19)23-20(25)6-5-15-22-30(26,27)18-11-7-16(21)8-12-18/h7-14,22H,3-6,15H2,1-2H3,(H,23,25)
InChIKeyQQBCGRLVQHNMGT-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.55
Rot. Bonds11

About N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide

N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide (PubChem CID 24640292) has the molecular formula C20H26FN3O5S2 and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
PubChem CID24640292
Molecular FormulaC20H26FN3O5S2
Molecular Weight471.58 g/mol
Exact Mass471.13
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H26FN3O5S2/c1-3-24(4-2)31(28,29)19-13-9-17(10-14-19)23-20(25)6-5-15-22-30(26,27)18-11-7-16(21)8-12-18/h7-14,22H,3-6,15H2,1-2H3,(H,23,25)
InChIKeyQQBCGRLVQHNMGT-UHFFFAOYSA-N
XLogP2.55
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.55
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

4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9260809
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
N-[4-(diethylsulfamoyl)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)propanamide
CID 3417972

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide (CID 24640292) is N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
The InChIKey is QQBCGRLVQHNMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O5S2/c1-3-24(4-2)31(28,29)19-13-9-17(10-14-19)23-20(25)6-5-15-22-30(26,27)18-11-7-16(21)8-12-18/h7-14,22H,3-6,15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide?
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide has a molecular weight of 471.58 g/mol, XLogP of 2.55, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide is sourced from PubChem (CID 24640292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).