N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide

C26H36N2O2S — CID 57471376

IUPACN-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESCCNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C26H36N2O2S/c1-2-27-26-15-14-23-13-12-21(9-6-16-28-31(29,30)19-22-10-11-22)17-24(23)25(26)18-20-7-4-3-5-8-20/h3-5,7-8,12-13,17,22,25-28H,2,6,9-11,14-16,18-19H2,1H3
InChIKeyFAYUCAHTDVXZKE-UHFFFAOYSA-N
MW440.65 g/mol
LogP4.20
Rot. Bonds11

About N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide

N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57471376) has the molecular formula C26H36N2O2S and a molecular weight of 440.65 g/mol. Its IUPAC name is N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
PubChem CID57471376
Molecular FormulaC26H36N2O2S
Molecular Weight440.65 g/mol
Exact Mass440.25
IUPAC NameN-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESCCNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIInChI=1S/C26H36N2O2S/c1-2-27-26-15-14-23-13-12-21(9-6-16-28-31(29,30)19-22-10-11-22)17-24(23)25(26)18-20-7-4-3-5-8-20/h3-5,7-8,12-13,17,22,25-28H,2,6,9-11,14-16,18-19H2,1H3
InChIKeyFAYUCAHTDVXZKE-UHFFFAOYSA-N
XLogP4.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.65
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide with MolForge

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Related Compounds

N-{4-[(1-Allyl-6-fluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
CID 9934437
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-[(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
N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57467315
N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide
CID 57467317

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (CID 57471376) is N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is CCNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1.
What is the InChIKey of N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is FAYUCAHTDVXZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2S/c1-2-27-26-15-14-23-13-12-21(9-6-16-28-31(29,30)19-22-10-11-22)17-24(23)25(26)18-20-7-4-3-5-8-20/h3-5,7-8,12-13,17,22,25-28H,2,6,9-11,14-16,18-19H2,1H3.
What are the key properties of N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 440.65 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57471376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).