ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate

C17H21NO4S — CID 22492448

IUPACethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate
SMILESCCOC(=O)CCCCS(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO4S/c1-2-22-17(19)9-5-6-12-23(20,21)18-16-11-10-14-7-3-4-8-15(14)13-16/h3-4,7-8,10-11,13,18H,2,5-6,9,12H2,1H3
InChIKeyNTJLNRZGARPARL-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.31
Rot. Bonds8

About ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate

ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate (PubChem CID 22492448) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate.

Molecular Properties

Compound Nameethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate
PubChem CID22492448
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Nameethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate
SMILESCCOC(=O)CCCCS(=O)(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO4S/c1-2-22-17(19)9-5-6-12-23(20,21)18-16-11-10-14-7-3-4-8-15(14)13-16/h3-4,7-8,10-11,13,18H,2,5-6,9,12H2,1H3
InChIKeyNTJLNRZGARPARL-UHFFFAOYSA-N
XLogP3.31
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate
CID 122149479
Ethyl 2-[3-fluoro-4-(methanesulfonamido)-2-phenylphenyl]acetate
CID 70847530
Ethyl {4-[(benzylsulfonyl)amino]phenyl}acetate
CID 895087
N-hydroxy-5-(naphthalen-2-ylsulfamoyl)pentanamide
CID 9923180
methyl (2S)-2-[(4-methylphenyl)sulfamoyl]butanoate
CID 18645332
2-(7-Aminonaphthalen-1-yl)sulfonylethyl acetate
CID 21414219
N-naphthalen-2-ylbutane-1-sulfonamide
CID 22775035
Methyl 2-(naphthalen-2-ylsulfamoyl)acetate
CID 59374682
{2-Methyl-4-[(phenylsulphonyl)amino]phenyl}acetic acid methyl ester
CID 67330236
(1R*,2R*,3R*)-Ethyl-2-(4-(cyclopropanesulfonamido)phenyl)-3-phenylcyclopropanecarboxylate
CID 86721116
N-hydroxy-3-methyl-2-(naphthalen-2-ylsulfamoyl)butanamide
CID 88135339
Methyl 3-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylamino]phenyl]propanoate
CID 89455376

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate?
The IUPAC name of ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate (CID 22492448) is ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate.
What is the SMILES notation for ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate?
The canonical SMILES for ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate is CCOC(=O)CCCCS(=O)(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate?
The InChIKey is NTJLNRZGARPARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-2-22-17(19)9-5-6-12-23(20,21)18-16-11-10-14-7-3-4-8-15(14)13-16/h3-4,7-8,10-11,13,18H,2,5-6,9,12H2,1H3.
What are the key properties of ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate?
ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate has a molecular weight of 335.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate is sourced from PubChem (CID 22492448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).