N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid

C24H33NO5S — CID 91605133

IUPACN-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1ccc(CC(=O)N(C)C(CC2CCCC2)c2cccc(O)c2)cc1
InChIInChI=1S/C23H29NO2.CH4O3S/c1-17-10-12-19(13-11-17)15-23(26)24(2)22(14-18-6-3-4-7-18)20-8-5-9-21(25)16-20;1-5(2,3)4/h5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWBZLKTIYPQDQSD-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.53
Rot. Bonds6

About N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid

N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid (PubChem CID 91605133) has the molecular formula C24H33NO5S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid
PubChem CID91605133
Molecular FormulaC24H33NO5S
Molecular Weight447.60 g/mol
Exact Mass447.21
IUPAC NameN-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Cc1ccc(CC(=O)N(C)C(CC2CCCC2)c2cccc(O)c2)cc1
InChIInChI=1S/C23H29NO2.CH4O3S/c1-17-10-12-19(13-11-17)15-23(26)24(2)22(14-18-6-3-4-7-18)20-8-5-9-21(25)16-20;1-5(2,3)4/h5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3;1H3,(H,2,3,4)
InChIKeyWBZLKTIYPQDQSD-UHFFFAOYSA-N
XLogP4.53
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;N-[2-cyclopentyl-1-(3-methoxyphenyl)ethyl]-2-(4-fluorophenyl)-N-methylacetamide;difluoromethane;methanesulfonic acid;1-(3-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine;N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-(4-methylphenyl)acetamide;2-(4-methylphenyl)acetic acid
CID 159699868
2-[3-[2-(3-hydroxycyclopentyl)-1-[methyl-[2-(4-methylsulfonylphenyl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 70299374
N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[2-(methanesulfonamido)phenyl]-N-methylacetamide;methanesulfonic acid
CID 10119137
N-[2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1-(3-phenylmethoxyphenyl)ethyl]-N-methyl-2-(4-methylsulfonylphenyl)acetamide
CID 70298692
N-(cyclobutylmethyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55126003
2-(2,5-dimethylphenyl)-N-[1-(3-hydroxyphenyl)ethyl]-N-methylacetamide
CID 71859784
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
tert-butyl 2-[3-[(1S)-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-1-[methyl-[2-(4-methylsulfonylphenyl)acetyl]amino]ethyl]phenoxy]acetate
CID 70298373
ethyl 4-cyclopropyl-3-(3-hydroxyphenyl)butanoate
CID 76598792
N-[(1S)-1-[3-(methanesulfonamido)phenyl]-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 10186311
2-[2-(methanesulfonamido)phenyl]-N-methyl-N-[1-(3-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide
CID 20735069
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid?
The IUPAC name of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid (CID 91605133) is N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid.
What is the SMILES notation for N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid?
The canonical SMILES for N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid is CS(=O)(=O)O.Cc1ccc(CC(=O)N(C)C(CC2CCCC2)c2cccc(O)c2)cc1.
What is the InChIKey of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid?
The InChIKey is WBZLKTIYPQDQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.CH4O3S/c1-17-10-12-19(13-11-17)15-23(26)24(2)22(14-18-6-3-4-7-18)20-8-5-9-21(25)16-20;1-5(2,3)4/h5,8-13,16,18,22,25H,3-4,6-7,14-15H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid?
N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid has a molecular weight of 447.60 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(3-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide;methanesulfonic acid is sourced from PubChem (CID 91605133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).