N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide

C21H22N2O3S — CID 2219434

IUPACN-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O3S/c1-2-3-14-22-21(24)19-10-6-7-11-20(19)23-27(25,26)18-13-12-16-8-4-5-9-17(16)15-18/h4-13,15,23H,2-3,14H2,1H3,(H,22,24)
InChIKeyKIXXGFWTPSGYQB-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.17
Rot. Bonds7

About N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide

N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 2219434) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID2219434
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
SMILESCCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H22N2O3S/c1-2-3-14-22-21(24)19-10-6-7-11-20(19)23-27(25,26)18-13-12-16-8-4-5-9-17(16)15-18/h4-13,15,23H,2-3,14H2,1H3,(H,22,24)
InChIKeyKIXXGFWTPSGYQB-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.17
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

2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide
CID 30713734
N-butyl-2-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100719107
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 100765135
N-butyl-4-[(naphthalen-2-ylsulfonylamino)methyl]benzamide
CID 8574875
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432581
N-butyl-2-[[3-(butylsulfamoyl)benzoyl]amino]benzamide
CID 17226854
2-[(4-butoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46101931

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide (CID 2219434) is N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide is CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is KIXXGFWTPSGYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-2-3-14-22-21(24)19-10-6-7-11-20(19)23-27(25,26)18-13-12-16-8-4-5-9-17(16)15-18/h4-13,15,23H,2-3,14H2,1H3,(H,22,24).
What are the key properties of N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide?
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2219434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).