N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide

C25H30N4O2S — CID 57471402

IUPACN-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)c1
InChIInChI=1S/C25H30N4O2S/c1-28-17-25(26-18-28)32(30,31)27-16-20-8-9-21-10-11-24(29-12-5-13-29)23(22(21)15-20)14-19-6-3-2-4-7-19/h2-4,6-9,15,17-18,23-24,27H,5,10-14,16H2,1H3
InChIKeyLEUBHBGUPVLRLA-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.25
Rot. Bonds7

About N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide

N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 57471402) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID57471402
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)c1
InChIInChI=1S/C25H30N4O2S/c1-28-17-25(26-18-28)32(30,31)27-16-20-8-9-21-10-11-24(29-12-5-13-29)23(22(21)15-20)14-19-6-3-2-4-7-19/h2-4,6-9,15,17-18,23-24,27H,5,10-14,16H2,1H3
InChIKeyLEUBHBGUPVLRLA-UHFFFAOYSA-N
XLogP3.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide (CID 57471402) is N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)c1.
What is the InChIKey of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is LEUBHBGUPVLRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-28-17-25(26-18-28)32(30,31)27-16-20-8-9-21-10-11-24(29-12-5-13-29)23(22(21)15-20)14-19-6-3-2-4-7-19/h2-4,6-9,15,17-18,23-24,27H,5,10-14,16H2,1H3.
What are the key properties of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 450.61 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 57471402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).