N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide

C23H38N2O3S — CID 59547767

IUPACN-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOc1ccc2c(c1)C(CC1CCCCC1)C(NC)CC2
InChIInChI=1S/C23H38N2O3S/c1-3-15-29(26,27)25-13-14-28-20-11-9-19-10-12-23(24-2)22(21(19)17-20)16-18-7-5-4-6-8-18/h9,11,17-18,22-25H,3-8,10,12-16H2,1-2H3
InChIKeyYGNVNIZMZPPOME-UHFFFAOYSA-N
MW422.64 g/mol
LogP3.98
Rot. Bonds10

About N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide

N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide (PubChem CID 59547767) has the molecular formula C23H38N2O3S and a molecular weight of 422.64 g/mol. Its IUPAC name is N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
PubChem CID59547767
Molecular FormulaC23H38N2O3S
Molecular Weight422.64 g/mol
Exact Mass422.26
IUPAC NameN-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCOc1ccc2c(c1)C(CC1CCCCC1)C(NC)CC2
InChIInChI=1S/C23H38N2O3S/c1-3-15-29(26,27)25-13-14-28-20-11-9-19-10-12-23(24-2)22(21(19)17-20)16-18-7-5-4-6-8-18/h9,11,17-18,22-25H,3-8,10,12-16H2,1-2H3
InChIKeyYGNVNIZMZPPOME-UHFFFAOYSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.64
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 145950133
N-[2-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 145957869
1-[(3-Chlorophenyl)methyl]-7-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46870538
1-[(3-Chlorophenyl)methyl]-7-(1-propylsulfonylazetidin-3-yl)oxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 46870633
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]benzenesulfonamide
CID 57467243
N-[2-[[7-amino-8-[(3-chloro-4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
CID 57467254
N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467258
N-[2-[(8-benzyl-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 57467260
N-[2-[[8-benzyl-7-(3-fluoropyrrolidin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 57467263
1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
CID 57467265
N-[2-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]cyclobutanesulfonamide
CID 57467270
N-[2-[[7-amino-8-[(3-chloro-5-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 57467275

Frequently Asked Questions

What is the IUPAC name of N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide (CID 59547767) is N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCOc1ccc2c(c1)C(CC1CCCCC1)C(NC)CC2.
What is the InChIKey of N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
The InChIKey is YGNVNIZMZPPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3S/c1-3-15-29(26,27)25-13-14-28-20-11-9-19-10-12-23(24-2)22(21(19)17-20)16-18-7-5-4-6-8-18/h9,11,17-18,22-25H,3-8,10,12-16H2,1-2H3.
What are the key properties of N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide?
N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide has a molecular weight of 422.64 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[8-(cyclohexylmethyl)-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 59547767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).