N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide

C22H24N2O3S — CID 8574875

IUPACN-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O3S/c1-2-3-14-23-22(25)19-10-8-17(9-11-19)16-24-28(26,27)21-13-12-18-6-4-5-7-20(18)15-21/h4-13,15,24H,2-3,14,16H2,1H3,(H,23,25)
InChIKeyGJSTUKOTEGKVLK-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.85
Rot. Bonds8

About N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide

N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide (PubChem CID 8574875) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
PubChem CID8574875
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
SMILESCCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O3S/c1-2-3-14-23-22(25)19-10-8-17(9-11-19)16-24-28(26,27)21-13-12-18-6-4-5-7-20(18)15-21/h4-13,15,24H,2-3,14,16H2,1H3,(H,23,25)
InChIKeyGJSTUKOTEGKVLK-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.85
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

methyl 4-[(naphthalen-2-ylsulfonylamino)methyl]benzoate
CID 9324257
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
N-[(4-tert-butylphenyl)methyl]naphthalene-2-sulfonamide
CID 3780847
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
N-butyl-4-(pentylsulfamoyl)benzamide
CID 109058608
N-(3-butylsulfanylpropyl)-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 20968650
N-pentylnaphthalene-2-carboxamide
CID 91722098
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-nonylnaphthalene-2-sulfonamide
CID 19681387
N-heptylnaphthalene-2-carboxamide
CID 91722099

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide?
The IUPAC name of N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide (CID 8574875) is N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide.
What is the SMILES notation for N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide?
The canonical SMILES for N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide is CCCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide?
The InChIKey is GJSTUKOTEGKVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-2-3-14-23-22(25)19-10-8-17(9-11-19)16-24-28(26,27)21-13-12-18-6-4-5-7-20(18)15-21/h4-13,15,24H,2-3,14,16H2,1H3,(H,23,25).
What are the key properties of N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide?
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide has a molecular weight of 396.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide is sourced from PubChem (CID 8574875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).