1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

C24H31FN2O3S — CID 57467286

IUPAC1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
SMILESCNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3S/c1-26-24-11-7-19-6-10-21(30-13-12-27-31(28,29)16-18-2-3-18)15-22(19)23(24)14-17-4-8-20(25)9-5-17/h4-6,8-10,15,18,23-24,26-27H,2-3,7,11-14,16H2,1H3
InChIKeyWWQMJMXWEMVOMB-UHFFFAOYSA-N
MW446.59 g/mol
LogP3.39
Rot. Bonds10

About 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (PubChem CID 57467286) has the molecular formula C24H31FN2O3S and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
PubChem CID57467286
Molecular FormulaC24H31FN2O3S
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
SMILESCNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O3S/c1-26-24-11-7-19-6-10-21(30-13-12-27-31(28,29)16-18-2-3-18)15-22(19)23(24)14-17-4-8-20(25)9-5-17/h4-6,8-10,15,18,23-24,26-27H,2-3,7,11-14,16H2,1H3
InChIKeyWWQMJMXWEMVOMB-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 53.39
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-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467247
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (CID 57467286) is 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is CNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)cc1.
What is the InChIKey of 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The InChIKey is WWQMJMXWEMVOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-26-24-11-7-19-6-10-21(30-13-12-27-31(28,29)16-18-2-3-18)15-22(19)23(24)14-17-4-8-20(25)9-5-17/h4-6,8-10,15,18,23-24,26-27H,2-3,7,11-14,16H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide has a molecular weight of 446.59 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-[[8-[(4-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 57467286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).