N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide

C19H25F3N2O5S2 — CID 10184465

IUPACN-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc2cc(OCCNS(=O)(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C19H25F3N2O5S2/c1-13(2)30(25,26)24-12-14(3)15-4-5-17-11-18(7-6-16(17)10-15)29-9-8-23-31(27,28)19(20,21)22/h4-7,10-11,13-14,23-24H,8-9,12H2,1-3H3
InChIKeyPCUPFALIXKRFMR-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.09
Rot. Bonds10

About N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide

N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide (PubChem CID 10184465) has the molecular formula C19H25F3N2O5S2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide
PubChem CID10184465
Molecular FormulaC19H25F3N2O5S2
Molecular Weight482.55 g/mol
Exact Mass482.12
IUPAC NameN-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)c1ccc2cc(OCCNS(=O)(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C19H25F3N2O5S2/c1-13(2)30(25,26)24-12-14(3)15-4-5-17-11-18(7-6-16(17)10-15)29-9-8-23-31(27,28)19(20,21)22/h4-7,10-11,13-14,23-24H,8-9,12H2,1-3H3
InChIKeyPCUPFALIXKRFMR-UHFFFAOYSA-N
XLogP3.09
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(8-methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-yl)methyl]methanesulfonamide
CID 145982167
N-[(8-methoxy-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-yl)methyl]ethanesulfonamide
CID 145991111
N-(2-(7-Amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl)-1-cyclopropylmethanesulfonamide
CID 57471264
N-[2-[[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 57471280
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]propane-1-sulfonamide
CID 57471298
N-[2-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 57471391
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 57487122
N-[2-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethyl]cyclopropanesulfonamide
CID 57487126
N-[2-[[7-amino-8-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
CID 59547764
N-[2-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]propane-1-sulfonamide
CID 59547776
N-[2-[[(7R,8R)-7-(azetidin-1-ylmethyl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]ethanesulfonamide
CID 71041880
N-[2-[[(7R,8R)-7-(aminomethyl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]ethyl]ethanesulfonamide
CID 71041881

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide (CID 10184465) is N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)c1ccc2cc(OCCNS(=O)(=O)C(F)(F)F)ccc2c1.
What is the InChIKey of N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide?
The InChIKey is PCUPFALIXKRFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O5S2/c1-13(2)30(25,26)24-12-14(3)15-4-5-17-11-18(7-6-16(17)10-15)29-9-8-23-31(27,28)19(20,21)22/h4-7,10-11,13-14,23-24H,8-9,12H2,1-3H3.
What are the key properties of N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide?
N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide has a molecular weight of 482.55 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[2-(trifluoromethylsulfonylamino)ethoxy]naphthalen-2-yl]propyl]propane-2-sulfonamide is sourced from PubChem (CID 10184465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).