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

C25H34ClFN2O2S — CID 57471380

IUPACN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2)S(=O)(=O)CC1CC1.Cl
InChIInChI=1S/C25H33FN2O2S.ClH/c1-28(31(29,30)17-19-7-8-19)13-3-5-18-9-10-21-11-12-25(27)24(23(21)15-18)16-20-4-2-6-22(26)14-20;/h2,4,6,9-10,14-15,19,24-25H,3,5,7-8,11-13,16-17,27H2,1H3;1H
InChIKeyGZLACCAAUNNDKO-UHFFFAOYSA-N
MW481.08 g/mol
LogP4.45
Rot. Bonds9

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

N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride (PubChem CID 57471380) has the molecular formula C25H34ClFN2O2S and a molecular weight of 481.08 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride
PubChem CID57471380
Molecular FormulaC25H34ClFN2O2S
Molecular Weight481.08 g/mol
Exact Mass480.20
IUPAC NameN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2)S(=O)(=O)CC1CC1.Cl
InChIInChI=1S/C25H33FN2O2S.ClH/c1-28(31(29,30)17-19-7-8-19)13-3-5-18-9-10-21-11-12-25(27)24(23(21)15-18)16-20-4-2-6-22(26)14-20;/h2,4,6,9-10,14-15,19,24-25H,3,5,7-8,11-13,16-17,27H2,1H3;1H
InChIKeyGZLACCAAUNNDKO-UHFFFAOYSA-N
XLogP4.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.08
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-cyclopropyl-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride (CID 57471380) is N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride is CN(CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2)S(=O)(=O)CC1CC1.Cl.
What is the InChIKey of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is GZLACCAAUNNDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O2S.ClH/c1-28(31(29,30)17-19-7-8-19)13-3-5-18-9-10-21-11-12-25(27)24(23(21)15-18)16-20-4-2-6-22(26)14-20;/h2,4,6,9-10,14-15,19,24-25H,3,5,7-8,11-13,16-17,27H2,1H3;1H.
What are the key properties of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride?
N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 481.08 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 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-cyclopropyl-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 57471380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).