5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid

C133H107F3O17S5 — CID 161277425

IUPAC5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid
SMILESCC(C)c1cc(CS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)O)cc1SCCc1ccccc1.O=C(O)c1cc(-c2ccc(CCc3cccc(C(F)(F)F)c3)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1.O=C(O)c1cc(-c2ccc(CCc3cccc4ccccc34)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1.O=C(O)c1cc(-c2ccc(COc3cccc4ccccc34)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C36H28O4S.C35H26O5S.C33H25F3O4S.C29H28O4S2/c37-36(38)35-23-31(18-19-32(35)24-41(39,40)33-21-20-26-6-1-2-8-30(26)22-33)27-15-12-25(13-16-27)14-17-29-10-5-9-28-7-3-4-11-34(28)29;36-35(37)33-21-29(16-17-30(33)23-41(38,39)31-19-18-25-6-1-2-8-28(25)20-31)26-14-12-24(13-15-26)22-40-34-11-5-9-27-7-3-4-10-32(27)34;34-33(35,36)29-7-3-4-23(18-29)9-8-22-10-12-25(13-11-22)27-14-15-28(31(20-27)32(37)38)21-41(39,40)30-17-16-24-5-1-2-6-26(24)19-30;1-20(2)26-17-24(19-35(32,33)25-13-12-22-10-6-7-11-23(22)16-25)27(29(30)31)18-28(26)34-15-14-21-8-4-3-5-9-21/h1-13,15-16,18-23H,14,17,24H2,(H,37,38);1-21H,22-23H2,(H,36,37);1-7,10-20H,8-9,21H2,(H,37,38);3-13,16-18,20H,14-15,19H2,1-2H3,(H,30,31)
InChIKeyVEPXIXVOOVFWCC-UHFFFAOYSA-N
MW2194.63 g/mol
LogP30.98
Rot. Bonds33

About 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid

5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid (PubChem CID 161277425) has the molecular formula C133H107F3O17S5 and a molecular weight of 2194.63 g/mol. Its IUPAC name is 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid
PubChem CID161277425
Molecular FormulaC133H107F3O17S5
Molecular Weight2194.63 g/mol
Exact Mass2192.61
IUPAC Name5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid
SMILESCC(C)c1cc(CS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)O)cc1SCCc1ccccc1.O=C(O)c1cc(-c2ccc(CCc3cccc(C(F)(F)F)c3)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1.O=C(O)c1cc(-c2ccc(CCc3cccc4ccccc34)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1.O=C(O)c1cc(-c2ccc(COc3cccc4ccccc34)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C36H28O4S.C35H26O5S.C33H25F3O4S.C29H28O4S2/c37-36(38)35-23-31(18-19-32(35)24-41(39,40)33-21-20-26-6-1-2-8-30(26)22-33)27-15-12-25(13-16-27)14-17-29-10-5-9-28-7-3-4-11-34(28)29;36-35(37)33-21-29(16-17-30(33)23-41(38,39)31-19-18-25-6-1-2-8-28(25)20-31)26-14-12-24(13-15-26)22-40-34-11-5-9-27-7-3-4-10-32(27)34;34-33(35,36)29-7-3-4-23(18-29)9-8-22-10-12-25(13-11-22)27-14-15-28(31(20-27)32(37)38)21-41(39,40)30-17-16-24-5-1-2-6-26(24)19-30;1-20(2)26-17-24(19-35(32,33)25-13-12-22-10-6-7-11-23(22)16-25)27(29(30)31)18-28(26)34-15-14-21-8-4-3-5-9-21/h1-13,15-16,18-23H,14,17,24H2,(H,37,38);1-21H,22-23H2,(H,36,37);1-7,10-20H,8-9,21H2,(H,37,38);3-13,16-18,20H,14-15,19H2,1-2H3,(H,30,31)
InChIKeyVEPXIXVOOVFWCC-UHFFFAOYSA-N
XLogP30.98
TPSA294.99 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002194.63
LogP ≤ 530.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-Fluoro-2-phenylmethoxyphenyl)-9,10,10-trioxothioxanthene-1-carboxylic acid
CID 42628139
7-[(2,6-Dimethylphenyl)methoxy]-4-(4-methylsulfonylphenyl)naphthalene-2-carboxylic acid
CID 42630803
Ro 46-8515
CID 160370
5,5-Difluoro-5-(phenylsulfonyl)pentyl 6-(3-((3r,5r,7r)-adamantan-1-yl)-4-methoxyphenyl)-2-naphthoate
CID 163297716
[2-Methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-diphenylsulfanium;trifluoromethanesulfonate
CID 18688734
Methyl 7-phenylmethoxy-4-(trifluoromethylsulfonyl)naphthalene-2-carboxylate
CID 19027153
[4-[3-[4-[8-[Dihydroxy-oxo-(oxolan-3-ylmethyl)-lambda6-sulfanyl]-6-[2-(oxolan-3-yl)ethyl]naphthalen-2-yl]oxy-3-[2-(oxolan-3-yl)ethyl]benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769571
[4-[3-[3-(3,3-Dimethylbutyl)-4-[6-(3,3-dimethylbutyl)-8-(2,2-dimethylpropyl-dihydroxy-oxo-lambda6-sulfanyl)naphthalen-2-yl]oxybenzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769591
4-[(1E,5E)-6-(4-carboxy-2-fluorophenyl)-2-(4,4-dimethyl-2,3-dihydrochromen-6-yl)-1,6-difluoro-5-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)hexa-1,5-dienyl]-3-fluorobenzoic acid
CID 70476642
Triphenylsulfonium 1,1,3,3,3-pentafluoro-2-(6-methacryloyloxy-naphthalene-2-carbonyloxy)-propane-1-sulfonate
CID 86639516
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium
CID 87139299
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium
CID 87452570

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid?
The IUPAC name of 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid (CID 161277425) is 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid.
What is the SMILES notation for 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid?
The canonical SMILES for 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid is CC(C)c1cc(CS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)O)cc1SCCc1ccccc1.O=C(O)c1cc(-c2ccc(CCc3cccc(C(F)(F)F)c3)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1.O=C(O)c1cc(-c2ccc(CCc3cccc4ccccc34)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1.O=C(O)c1cc(-c2ccc(COc3cccc4ccccc34)cc2)ccc1CS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid?
The InChIKey is VEPXIXVOOVFWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O4S.C35H26O5S.C33H25F3O4S.C29H28O4S2/c37-36(38)35-23-31(18-19-32(35)24-41(39,40)33-21-20-26-6-1-2-8-30(26)22-33)27-15-12-25(13-16-27)14-17-29-10-5-9-28-7-3-4-11-34(28)29;36-35(37)33-21-29(16-17-30(33)23-41(38,39)31-19-18-25-6-1-2-8-28(25)20-31)26-14-12-24(13-15-26)22-40-34-11-5-9-27-7-3-4-10-32(27)34;34-33(35,36)29-7-3-4-23(18-29)9-8-22-10-12-25(13-11-22)27-14-15-28(31(20-27)32(37)38)21-41(39,40)30-17-16-24-5-1-2-6-26(24)19-30;1-20(2)26-17-24(19-35(32,33)25-13-12-22-10-6-7-11-23(22)16-25)27(29(30)31)18-28(26)34-15-14-21-8-4-3-5-9-21/h1-13,15-16,18-23H,14,17,24H2,(H,37,38);1-21H,22-23H2,(H,36,37);1-7,10-20H,8-9,21H2,(H,37,38);3-13,16-18,20H,14-15,19H2,1-2H3,(H,30,31).
What are the key properties of 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid?
5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid has a molecular weight of 2194.63 g/mol, XLogP of 30.98, 33 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-naphthalen-1-ylethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;5-[4-(naphthalen-1-yloxymethyl)phenyl]-2-(naphthalen-2-ylsulfonylmethyl)benzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-(2-phenylethylsulfanyl)-4-propan-2-ylbenzoic acid;2-(naphthalen-2-ylsulfonylmethyl)-5-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]benzoic acid is sourced from PubChem (CID 161277425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).