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

C22H26F2N2O2S — CID 57471332

IUPACN-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H26F2N2O2S/c23-20-7-4-15(11-21(20)24)9-19-18-10-16(3-5-17(18)6-8-22(19)25)12-26-29(27,28)13-14-1-2-14/h3-5,7,10-11,14,19,22,26H,1-2,6,8-9,12-13,25H2
InChIKeyDRXXVNWVHXVGGO-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.39
Rot. Bonds7

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

N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 57471332) has the molecular formula C22H26F2N2O2S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide
PubChem CID57471332
Molecular FormulaC22H26F2N2O2S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1
InChIInChI=1S/C22H26F2N2O2S/c23-20-7-4-15(11-21(20)24)9-19-18-10-16(3-5-17(18)6-8-22(19)25)12-26-29(27,28)13-14-1-2-14/h3-5,7,10-11,14,19,22,26H,1-2,6,8-9,12-13,25H2
InChIKeyDRXXVNWVHXVGGO-UHFFFAOYSA-N
XLogP3.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 145949682
N-[[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 145956447
N-((7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)cyclobutanesulfonamide
CID 46870540
N-((7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)-1-cyclopropylmethanesulfonamide
CID 46870542
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-N-methylpropane-1-sulfonamide
CID 57467219
N-[[7-amino-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57467291
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylbenzenesulfonamide
CID 57467295
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
CID 57467299
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57467301
N-(3-(7-Amino-8-(4-chlorobenzyl)-5,6,7,8-tetrahydronaphthalen-2-yl)propyl)-1-cyclopropylmethanesulfonamide
CID 57467313
N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57467315
N-[3-(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1-sulfonamide
CID 57467317

Frequently Asked Questions

What is the IUPAC name of N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide (CID 57471332) is N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide is NC1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1.
What is the InChIKey of N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is DRXXVNWVHXVGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2S/c23-20-7-4-15(11-21(20)24)9-19-18-10-16(3-5-17(18)6-8-22(19)25)12-26-29(27,28)13-14-1-2-14/h3-5,7,10-11,14,19,22,26H,1-2,6,8-9,12-13,25H2.
What are the key properties of N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 420.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 57471332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).