N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide

C24H31FN2O2S — CID 57471355

IUPACN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H31FN2O2S/c25-21-5-1-3-19(13-21)15-23-22-14-17(8-9-20(22)10-11-24(23)26)4-2-12-27-30(28,29)16-18-6-7-18/h1,3,5,8-9,13-14,18,23-24,27H,2,4,6-7,10-12,15-16,26H2
InChIKeyOLGIDFUWOQKOEG-UHFFFAOYSA-N
MW430.59 g/mol
LogP3.69
Rot. Bonds9

About N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide

N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57471355) has the molecular formula C24H31FN2O2S and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
PubChem CID57471355
Molecular FormulaC24H31FN2O2S
Molecular Weight430.59 g/mol
Exact Mass430.21
IUPAC NameN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C24H31FN2O2S/c25-21-5-1-3-19(13-21)15-23-22-14-17(8-9-20(22)10-11-24(23)26)4-2-12-27-30(28,29)16-18-6-7-18/h1,3,5,8-9,13-14,18,23-24,27H,2,4,6-7,10-12,15-16,26H2
InChIKeyOLGIDFUWOQKOEG-UHFFFAOYSA-N
XLogP3.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (CID 57471355) is N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is OLGIDFUWOQKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2S/c25-21-5-1-3-19(13-21)15-23-22-14-17(8-9-20(22)10-11-24(23)26)4-2-12-27-30(28,29)16-18-6-7-18/h1,3,5,8-9,13-14,18,23-24,27H,2,4,6-7,10-12,15-16,26H2.
What are the key properties of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 430.59 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57471355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).