N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide

C20H24FN3O4S — CID 17192288

IUPACN-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O4S/c1-2-3-13-22-20(26)17-6-4-5-7-18(17)24-19(25)12-14-23-29(27,28)16-10-8-15(21)9-11-16/h4-11,23H,2-3,12-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyWJDGCCNITDUJLV-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.66
Rot. Bonds10

About N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide

N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide (PubChem CID 17192288) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
PubChem CID17192288
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC NameN-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H24FN3O4S/c1-2-3-13-22-20(26)17-6-4-5-7-18(17)24-19(25)12-14-23-29(27,28)16-10-8-15(21)9-11-16/h4-11,23H,2-3,12-14H2,1H3,(H,22,26)(H,24,25)
InChIKeyWJDGCCNITDUJLV-UHFFFAOYSA-N
XLogP2.66
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
CID 17192300
N-butyl-2-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2301813
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
2-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]propyl]benzamide
CID 47077414
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-butyl-2-[[2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetyl]amino]benzamide
CID 126276494
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
The IUPAC name of N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide (CID 17192288) is N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide.
What is the SMILES notation for N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
The canonical SMILES for N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
The InChIKey is WJDGCCNITDUJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c1-2-3-13-22-20(26)17-6-4-5-7-18(17)24-19(25)12-14-23-29(27,28)16-10-8-15(21)9-11-16/h4-11,23H,2-3,12-14H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide?
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide has a molecular weight of 421.49 g/mol, XLogP of 2.66, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide is sourced from PubChem (CID 17192288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).