1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide

C17H19NO4S — CID 119052957

IUPAC1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCC1
InChIInChI=1S/C17H19NO4S/c1-22-12-17(10-5-11-17)16(19)18-23(20,21)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9H,5,10-12H2,1H3,(H,18,19)
InChIKeyCMJRHVROBZKGND-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.46
Rot. Bonds5

About 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide

1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide (PubChem CID 119052957) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide
PubChem CID119052957
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCC1
InChIInChI=1S/C17H19NO4S/c1-22-12-17(10-5-11-17)16(19)18-23(20,21)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9H,5,10-12H2,1H3,(H,18,19)
InChIKeyCMJRHVROBZKGND-UHFFFAOYSA-N
XLogP2.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide 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 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide (CID 119052957) is 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide is COCC1(C(=O)NS(=O)(=O)c2cccc3ccccc23)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide?
The InChIKey is CMJRHVROBZKGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-22-12-17(10-5-11-17)16(19)18-23(20,21)15-9-4-7-13-6-2-3-8-14(13)15/h2-4,6-9H,5,10-12H2,1H3,(H,18,19).
What are the key properties of 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide?
1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 119052957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).