N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide

C22H28N2O2S — CID 46870540

IUPACN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
InChIInChI=1S/C22H28N2O2S/c23-22-12-11-18-10-9-17(15-24-27(25,26)19-7-4-8-19)14-20(18)21(22)13-16-5-2-1-3-6-16/h1-3,5-6,9-10,14,19,21-22,24H,4,7-8,11-13,15,23H2
InChIKeyJYTFEYCQTQEXGG-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.26
Rot. Bonds6

About N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide

N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide (PubChem CID 46870540) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide
PubChem CID46870540
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
InChIInChI=1S/C22H28N2O2S/c23-22-12-11-18-10-9-17(15-24-27(25,26)19-7-4-8-19)14-20(18)21(22)13-16-5-2-1-3-6-16/h1-3,5-6,9-10,14,19,21-22,24H,4,7-8,11-13,15,23H2
InChIKeyJYTFEYCQTQEXGG-UHFFFAOYSA-N
XLogP3.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide?
The IUPAC name of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide (CID 46870540) is N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide is NC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide?
The InChIKey is JYTFEYCQTQEXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c23-22-12-11-18-10-9-17(15-24-27(25,26)19-7-4-8-19)14-20(18)21(22)13-16-5-2-1-3-6-16/h1-3,5-6,9-10,14,19,21-22,24H,4,7-8,11-13,15,23H2.
What are the key properties of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide?
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide has a molecular weight of 384.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]cyclobutanesulfonamide is sourced from PubChem (CID 46870540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).