N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide

C23H32N2O2S — CID 57471344

IUPACN-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NCC)CC2
InChIInChI=1S/C23H32N2O2S/c1-3-14-28(26,27)25-17-19-10-11-20-12-13-23(24-4-2)22(21(20)16-19)15-18-8-6-5-7-9-18/h5-11,16,22-25H,3-4,12-15,17H2,1-2H3
InChIKeyUYCOPOHPGVBBQU-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.77
Rot. Bonds9

About N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide

N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (PubChem CID 57471344) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
PubChem CID57471344
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC NameN-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NCC)CC2
InChIInChI=1S/C23H32N2O2S/c1-3-14-28(26,27)25-17-19-10-11-20-12-13-23(24-4-2)22(21(20)16-19)15-18-8-6-5-7-9-18/h5-11,16,22-25H,3-4,12-15,17H2,1-2H3
InChIKeyUYCOPOHPGVBBQU-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide 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-(naphthalen-2-ylmethyl)-N-(piperidin-4-yl)methanesulfonamide
CID 44610723
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-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57467315

Frequently Asked Questions

What is the IUPAC name of N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (CID 57471344) is N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NCC)CC2.
What is the InChIKey of N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is UYCOPOHPGVBBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-3-14-28(26,27)25-17-19-10-11-20-12-13-23(24-4-2)22(21(20)16-19)15-18-8-6-5-7-9-18/h5-11,16,22-25H,3-4,12-15,17H2,1-2H3.
What are the key properties of N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 400.59 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-benzyl-7-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 57471344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).