N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide

C22H28N2O3S — CID 57487126

IUPACN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide
SMILESNC1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C22H28N2O3S/c23-22-11-7-17-6-8-18(27-13-12-24-28(25,26)19-9-10-19)15-20(17)21(22)14-16-4-2-1-3-5-16/h1-6,8,15,19,21-22,24H,7,9-14,23H2
InChIKeyJWNSHDCTTNZQAP-UHFFFAOYSA-N
MW400.54 g/mol
LogP2.75
Rot. Bonds8

About N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide

N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide (PubChem CID 57487126) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide
PubChem CID57487126
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide
SMILESNC1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C22H28N2O3S/c23-22-11-7-17-6-8-18(27-13-12-24-28(25,26)19-9-10-19)15-20(17)21(22)14-16-4-2-1-3-5-16/h1-6,8,15,19,21-22,24H,7,9-14,23H2
InChIKeyJWNSHDCTTNZQAP-UHFFFAOYSA-N
XLogP2.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide (CID 57487126) is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide is NC1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide?
The InChIKey is JWNSHDCTTNZQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c23-22-11-7-17-6-8-18(27-13-12-24-28(25,26)19-9-10-19)15-20(17)21(22)14-16-4-2-1-3-5-16/h1-6,8,15,19,21-22,24H,7,9-14,23H2.
What are the key properties of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide?
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 57487126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).