N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide

C24H30F2N2O2S — CID 57467315

IUPACN-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1
InChIInChI=1S/C24H30F2N2O2S/c25-22-9-6-18(14-23(22)26)13-21-20-12-16(5-7-19(20)8-10-24(21)27)2-1-11-28-31(29,30)15-17-3-4-17/h5-7,9,12,14,17,21,24,28H,1-4,8,10-11,13,15,27H2
InChIKeyULJRYBNDRRRMBJ-UHFFFAOYSA-N
MW448.58 g/mol
LogP3.83
Rot. Bonds9

About N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide

N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57467315) has the molecular formula C24H30F2N2O2S and a molecular weight of 448.58 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
PubChem CID57467315
Molecular FormulaC24H30F2N2O2S
Molecular Weight448.58 g/mol
Exact Mass448.20
IUPAC NameN-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1
InChIInChI=1S/C24H30F2N2O2S/c25-22-9-6-18(14-23(22)26)13-21-20-12-16(5-7-19(20)8-10-24(21)27)2-1-11-28-31(29,30)15-17-3-4-17/h5-7,9,12,14,17,21,24,28H,1-4,8,10-11,13,15,27H2
InChIKeyULJRYBNDRRRMBJ-UHFFFAOYSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.83
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-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide (CID 57467315) is N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is ULJRYBNDRRRMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O2S/c25-22-9-6-18(14-23(22)26)13-21-20-12-16(5-7-19(20)8-10-24(21)27)2-1-11-28-31(29,30)15-17-3-4-17/h5-7,9,12,14,17,21,24,28H,1-4,8,10-11,13,15,27H2.
What are the key properties of N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide?
N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 448.58 g/mol, XLogP of 3.83, 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-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57467315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).