ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate

C17H19NO4S — CID 122149479

IUPACethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1(S(=O)(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C17H19NO4S/c1-2-22-16(19)12-17(10-11-17)23(20,21)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,18H,2,10-12H2,1H3
InChIKeyDLQQNDSJDBJBKE-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.07
Rot. Bonds6

About ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate

ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate (PubChem CID 122149479) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate
PubChem CID122149479
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Nameethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1(S(=O)(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C17H19NO4S/c1-2-22-16(19)12-17(10-11-17)23(20,21)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,18H,2,10-12H2,1H3
InChIKeyDLQQNDSJDBJBKE-UHFFFAOYSA-N
XLogP3.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate (CID 122149479) is ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate is CCOC(=O)CC1(S(=O)(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate?
The InChIKey is DLQQNDSJDBJBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-2-22-16(19)12-17(10-11-17)23(20,21)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,18H,2,10-12H2,1H3.
What are the key properties of ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate?
ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate has a molecular weight of 333.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate is sourced from PubChem (CID 122149479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).