N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide

C23H32N2O2S — CID 57467317

IUPACN-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2
InChIInChI=1S/C23H32N2O2S/c1-2-15-28(26,27)25-14-6-9-19-10-11-20-12-13-23(24)22(21(20)16-19)17-18-7-4-3-5-8-18/h3-5,7-8,10-11,16,22-23,25H,2,6,9,12-15,17,24H2,1H3
InChIKeyRDDVYKBDIYAHDT-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.55
Rot. Bonds9

About N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide

N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide (PubChem CID 57467317) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide
PubChem CID57467317
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2
InChIInChI=1S/C23H32N2O2S/c1-2-15-28(26,27)25-14-6-9-19-10-11-20-12-13-23(24)22(21(20)16-19)17-18-7-4-3-5-8-18/h3-5,7-8,10-11,16,22-23,25H,2,6,9,12-15,17,24H2,1H3
InChIKeyRDDVYKBDIYAHDT-UHFFFAOYSA-N
XLogP3.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Propane-2-sulfonic acid (2-biphenyl-4-yl-propyl)-amide
CID 10829310
Propane-2-sulfonic acid [2-(4''-methyl-biphenyl-4-yl)-propyl]-amide
CID 10853988
N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 145949682
N-[[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 145956447
N-((7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)cyclobutanesulfonamide
CID 46870540
N-((7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)-1-cyclopropylmethanesulfonamide
CID 46870542
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-N-methylpropane-1-sulfonamide
CID 57467219
N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57467291
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylbenzenesulfonamide
CID 57467295
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
CID 57467299
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57467301
N-(3-(7-Amino-8-(4-chlorobenzyl)-5,6,7,8-tetrahydronaphthalen-2-yl)propyl)-1-cyclopropylmethanesulfonamide
CID 57467313

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide (CID 57467317) is N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2.
What is the InChIKey of N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide?
The InChIKey is RDDVYKBDIYAHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-2-15-28(26,27)25-14-6-9-19-10-11-20-12-13-23(24)22(21(20)16-19)17-18-7-4-3-5-8-18/h3-5,7-8,10-11,16,22-23,25H,2,6,9,12-15,17,24H2,1H3.
What are the key properties of N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide?
N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide has a molecular weight of 400.59 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide is sourced from PubChem (CID 57467317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).