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

C24H33FN2O2S — CID 57467324

IUPACN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2
InChIInChI=1S/C24H33FN2O2S/c1-3-14-30(28,29)27(2)13-5-7-18-9-10-20-11-12-24(26)23(22(20)16-18)17-19-6-4-8-21(25)15-19/h4,6,8-10,15-16,23-24H,3,5,7,11-14,17,26H2,1-2H3
InChIKeySNEWAYMPYBRUPQ-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.03
Rot. Bonds9

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

N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide (PubChem CID 57467324) has the molecular formula C24H33FN2O2S and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide
PubChem CID57467324
Molecular FormulaC24H33FN2O2S
Molecular Weight432.61 g/mol
Exact Mass432.22
IUPAC NameN-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2
InChIInChI=1S/C24H33FN2O2S/c1-3-14-30(28,29)27(2)13-5-7-18-9-10-20-11-12-24(26)23(22(20)16-18)17-19-6-4-8-21(25)15-19/h4,6,8-10,15-16,23-24H,3,5,7,11-14,17,26H2,1-2H3
InChIKeySNEWAYMPYBRUPQ-UHFFFAOYSA-N
XLogP4.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.03
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]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide (CID 57467324) is N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2.
What is the InChIKey of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide?
The InChIKey is SNEWAYMPYBRUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2S/c1-3-14-30(28,29)27(2)13-5-7-18-9-10-20-11-12-24(26)23(22(20)16-18)17-19-6-4-8-21(25)15-19/h4,6,8-10,15-16,23-24H,3,5,7,11-14,17,26H2,1-2H3.
What are the key properties of N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide?
N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide has a molecular weight of 432.61 g/mol, XLogP of 4.03, 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]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 57467324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).