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

C22H28N2O2S — CID 46870542

IUPACN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C22H28N2O2S/c23-22-11-10-19-9-8-18(14-24-27(25,26)15-17-6-7-17)13-20(19)21(22)12-16-4-2-1-3-5-16/h1-5,8-9,13,17,21-22,24H,6-7,10-12,14-15,23H2
InChIKeyBRUPJZUTAXTMBB-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.12
Rot. Bonds7

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

N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 46870542) 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]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide
PubChem CID46870542
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C22H28N2O2S/c23-22-11-10-19-9-8-18(14-24-27(25,26)15-17-6-7-17)13-20(19)21(22)12-16-4-2-1-3-5-16/h1-5,8-9,13,17,21-22,24H,6-7,10-12,14-15,23H2
InChIKeyBRUPJZUTAXTMBB-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.12
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]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide (CID 46870542) is N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is BRUPJZUTAXTMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c23-22-11-10-19-9-8-18(14-24-27(25,26)15-17-6-7-17)13-20(19)21(22)12-16-4-2-1-3-5-16/h1-5,8-9,13,17,21-22,24H,6-7,10-12,14-15,23H2.
What are the key properties of N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide?
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 384.55 g/mol, XLogP of 3.12, 7 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]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 46870542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).