1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

C24H31FN2O3S — CID 57467334

IUPAC1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
SMILESCNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H31FN2O3S/c1-26-24-10-8-19-7-9-21(30-12-11-27-31(28,29)16-17-5-6-17)15-22(19)23(24)14-18-3-2-4-20(25)13-18/h2-4,7,9,13,15,17,23-24,26-27H,5-6,8,10-12,14,16H2,1H3
InChIKeyFWLGKXSTJRFQRI-UHFFFAOYSA-N
MW446.59 g/mol
LogP3.39
Rot. Bonds10

About 1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide

1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (PubChem CID 57467334) has the molecular formula C24H31FN2O3S and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
PubChem CID57467334
Molecular FormulaC24H31FN2O3S
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide
SMILESCNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H31FN2O3S/c1-26-24-10-8-19-7-9-21(30-12-11-27-31(28,29)16-17-5-6-17)15-22(19)23(24)14-18-3-2-4-20(25)13-18/h2-4,7,9,13,15,17,23-24,26-27H,5-6,8,10-12,14,16H2,1H3
InChIKeyFWLGKXSTJRFQRI-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide (CID 57467334) is 1-cyclopropyl-N-[2-[[8-[(3-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-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is CNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of 1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
The InChIKey is FWLGKXSTJRFQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-26-24-10-8-19-7-9-21(30-12-11-27-31(28,29)16-17-5-6-17)15-22(19)23(24)14-18-3-2-4-20(25)13-18/h2-4,7,9,13,15,17,23-24,26-27H,5-6,8,10-12,14,16H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-[[8-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide?
1-cyclopropyl-N-[2-[[8-[(3-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-[(3-fluorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 57467334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).