N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide

C24H29FN4O2S — CID 57487138

IUPACN-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCCNC1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccc(F)cc1
InChIInChI=1S/C24H29FN4O2S/c1-3-26-23-11-8-19-7-4-18(14-28-32(30,31)24-15-29(2)16-27-24)13-21(19)22(23)12-17-5-9-20(25)10-6-17/h4-7,9-10,13,15-16,22-23,26,28H,3,8,11-12,14H2,1-2H3
InChIKeyACNWCFDXVXOFLC-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.29
Rot. Bonds8

About N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide

N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide (PubChem CID 57487138) has the molecular formula C24H29FN4O2S and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
PubChem CID57487138
Molecular FormulaC24H29FN4O2S
Molecular Weight456.59 g/mol
Exact Mass456.20
IUPAC NameN-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide
SMILESCCNC1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccc(F)cc1
InChIInChI=1S/C24H29FN4O2S/c1-3-26-23-11-8-19-7-4-18(14-28-32(30,31)24-15-29(2)16-27-24)13-21(19)22(23)12-17-5-9-20(25)10-6-17/h4-7,9-10,13,15-16,22-23,26,28H,3,8,11-12,14H2,1-2H3
InChIKeyACNWCFDXVXOFLC-UHFFFAOYSA-N
XLogP3.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide (CID 57487138) is N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide is CCNC1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccc(F)cc1.
What is the InChIKey of N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is ACNWCFDXVXOFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2S/c1-3-26-23-11-8-19-7-4-18(14-28-32(30,31)24-15-29(2)16-27-24)13-21(19)22(23)12-17-5-9-20(25)10-6-17/h4-7,9-10,13,15-16,22-23,26,28H,3,8,11-12,14H2,1-2H3.
What are the key properties of N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide?
N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 456.59 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(ethylamino)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 57487138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).