N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide

C22H24N2O3S — CID 46461593

IUPACN-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCc2cccc3ccccc23)c1
InChIInChI=1S/C22H24N2O3S/c1-16(2)24-28(26,27)20-11-6-10-19(15-20)22(25)23-14-13-18-9-5-8-17-7-3-4-12-21(17)18/h3-12,15-16,24H,13-14H2,1-2H3,(H,23,25)
InChIKeyFXFUUOFBGTXGNA-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.50
Rot. Bonds7

About N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 46461593) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID46461593
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NCCc2cccc3ccccc23)c1
InChIInChI=1S/C22H24N2O3S/c1-16(2)24-28(26,27)20-11-6-10-19(15-20)22(25)23-14-13-18-9-5-8-17-7-3-4-12-21(17)18/h3-12,15-16,24H,13-14H2,1-2H3,(H,23,25)
InChIKeyFXFUUOFBGTXGNA-UHFFFAOYSA-N
XLogP3.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 4790456
N-(2-methoxyethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26500829
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
propan-2-yl 3-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 46469241
N-[3-oxo-3-[[3-(propan-2-ylsulfamoyl)phenyl]methylamino]propyl]benzamide
CID 46585360
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26796224
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46699305
N-[(2R)-2-(ethylamino)propyl]-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120655144
N-(2-piperazin-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119448229

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 46461593) is N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NCCc2cccc3ccccc23)c1.
What is the InChIKey of N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is FXFUUOFBGTXGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16(2)24-28(26,27)20-11-6-10-19(15-20)22(25)23-14-13-18-9-5-8-17-7-3-4-12-21(17)18/h3-12,15-16,24H,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 396.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylethyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 46461593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).