4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide

C23H25N3O4S — CID 55948759

IUPAC4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-14-24-23(28)18-7-10-20(11-8-18)26-22(27)13-15-25-31(29,30)21-12-9-17-5-3-4-6-19(17)16-21/h3-12,16,25H,2,13-15H2,1H3,(H,24,28)(H,26,27)
InChIKeyYBIOKYYWKNQIBH-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.29
Rot. Bonds9

About 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide

4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide (PubChem CID 55948759) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
PubChem CID55948759
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H25N3O4S/c1-2-14-24-23(28)18-7-10-20(11-8-18)26-22(27)13-15-25-31(29,30)21-12-9-17-5-3-4-6-19(17)16-21/h3-12,16,25H,2,13-15H2,1H3,(H,24,28)(H,26,27)
InChIKeyYBIOKYYWKNQIBH-UHFFFAOYSA-N
XLogP3.29
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9179638
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 32940101
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16556432
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55960607
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573

Frequently Asked Questions

What is the IUPAC name of 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide?
The IUPAC name of 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide (CID 55948759) is 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide?
The InChIKey is YBIOKYYWKNQIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-2-14-24-23(28)18-7-10-20(11-8-18)26-22(27)13-15-25-31(29,30)21-12-9-17-5-3-4-6-19(17)16-21/h3-12,16,25H,2,13-15H2,1H3,(H,24,28)(H,26,27).
What are the key properties of 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide?
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide has a molecular weight of 439.54 g/mol, XLogP of 3.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55948759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).