N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide

C23H30N2O3S — CID 57471264

IUPACN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H30N2O3S/c24-23-11-9-19-8-10-20(28-13-12-25-29(26,27)16-18-6-7-18)15-21(19)22(23)14-17-4-2-1-3-5-17/h1-5,8,10,15,18,22-23,25H,6-7,9,11-14,16,24H2
InChIKeyYJDHDQCMIJFMCA-UHFFFAOYSA-N
MW414.57 g/mol
LogP2.99
Rot. Bonds9

About N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide

N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57471264) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide
PubChem CID57471264
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C23H30N2O3S/c24-23-11-9-19-8-10-20(28-13-12-25-29(26,27)16-18-6-7-18)15-21(19)22(23)14-17-4-2-1-3-5-17/h1-5,8,10,15,18,22-23,25H,6-7,9,11-14,16,24H2
InChIKeyYJDHDQCMIJFMCA-UHFFFAOYSA-N
XLogP2.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 52.99
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]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide (CID 57471264) is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is YJDHDQCMIJFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c24-23-11-9-19-8-10-20(28-13-12-25-29(26,27)16-18-6-7-18)15-21(19)22(23)14-17-4-2-1-3-5-17/h1-5,8,10,15,18,22-23,25H,6-7,9,11-14,16,24H2.
What are the key properties of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide?
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 2.99, 9 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]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57471264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).