N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C24H22F3NO3S — CID 167367509

IUPACN-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)CC/C=C/CNC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H22F3NO3S/c1-32(30,31)15-4-2-3-14-28-23(29)19-10-13-22-18(16-19)6-5-7-21(22)17-8-11-20(12-9-17)24(25,26)27/h2-3,5-13,16H,4,14-15H2,1H3,(H,28,29)/b3-2+
InChIKeyPFNJXSUXNZNVII-NSCUHMNNSA-N
MW461.51 g/mol
LogP5.25
Rot. Bonds7

About N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 167367509) has the molecular formula C24H22F3NO3S and a molecular weight of 461.51 g/mol. Its IUPAC name is N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID167367509
Molecular FormulaC24H22F3NO3S
Molecular Weight461.51 g/mol
Exact Mass461.13
IUPAC NameN-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)CC/C=C/CNC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C24H22F3NO3S/c1-32(30,31)15-4-2-3-14-28-23(29)19-10-13-22-18(16-19)6-5-7-21(22)17-8-11-20(12-9-17)24(25,26)27/h2-3,5-13,16H,4,14-15H2,1H3,(H,28,29)/b3-2+
InChIKeyPFNJXSUXNZNVII-NSCUHMNNSA-N
XLogP5.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfonylbut-3-enyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 175159989
N-[(E)-4-methylsulfonylbut-3-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 146780230
N-[3-(methylamino)propyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151299396
N-[1-(oxetan-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 148790722
N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151494065
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246
2-(4-naphthalen-1-ylphenyl)-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293477
N-[3-[[4-[(4-methylbenzoyl)amino]phenyl]methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70145257
N-methyl-4-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 176661619
2,3-dimethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 144948501
N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 134803671
N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 91074212

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 167367509) is N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is CS(=O)(=O)CC/C=C/CNC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is PFNJXSUXNZNVII-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H22F3NO3S/c1-32(30,31)15-4-2-3-14-28-23(29)19-10-13-22-18(16-19)6-5-7-21(22)17-8-11-20(12-9-17)24(25,26)27/h2-3,5-13,16H,4,14-15H2,1H3,(H,28,29)/b3-2+.
What are the key properties of N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 461.51 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-methylsulfonylpent-2-enyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 167367509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).