N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide

C24H30N4O3S — CID 59547810

IUPACN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C24H30N4O3S/c1-27-17-21(16-26-27)32(29,30)28(2)12-13-31-20-10-8-19-9-11-24(25)23(22(19)15-20)14-18-6-4-3-5-7-18/h3-8,10,15-17,23-24H,9,11-14,25H2,1-2H3
InChIKeyIEPVEXPVIVIPPW-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.72
Rot. Bonds8

About N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide

N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 59547810) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID59547810
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C24H30N4O3S/c1-27-17-21(16-26-27)32(29,30)28(2)12-13-31-20-10-8-19-9-11-24(25)23(22(19)15-20)14-18-6-4-3-5-7-18/h3-8,10,15-17,23-24H,9,11-14,25H2,1-2H3
InChIKeyIEPVEXPVIVIPPW-UHFFFAOYSA-N
XLogP2.72
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide (CID 59547810) is N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide is CN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is IEPVEXPVIVIPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-27-17-21(16-26-27)32(29,30)28(2)12-13-31-20-10-8-19-9-11-24(25)23(22(19)15-20)14-18-6-4-3-5-7-18/h3-8,10,15-17,23-24H,9,11-14,25H2,1-2H3.
What are the key properties of N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 454.60 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 59547810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).