N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide

C26H25NO4S — CID 101182507

IUPACN-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1C(O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H25NO4S/c1-18-11-15-22(16-12-18)32(29,30)27-25(26(28)23-9-5-6-10-24(23)31-2)21-14-13-19-7-3-4-8-20(19)17-21/h3-17,25-28H,1-2H3
InChIKeyUQLMAFUFTSWOIA-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.91
Rot. Bonds7

About N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide

N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide (PubChem CID 101182507) has the molecular formula C26H25NO4S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide
PubChem CID101182507
Molecular FormulaC26H25NO4S
Molecular Weight447.56 g/mol
Exact Mass447.15
IUPAC NameN-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccccc1C(O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H25NO4S/c1-18-11-15-22(16-12-18)32(29,30)27-25(26(28)23-9-5-6-10-24(23)31-2)21-14-13-19-7-3-4-8-20(19)17-21/h3-17,25-28H,1-2H3
InChIKeyUQLMAFUFTSWOIA-UHFFFAOYSA-N
XLogP4.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
N-[(1R)-1-(2-methoxyphenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 134955289
(4-nitrophenyl) (3S)-3-[(4-methylphenyl)sulfonylamino]-3-naphthalen-2-ylpropanoate
CID 135065452
N-[(1S,2S)-3-(4-methoxyphenyl)-3-oxo-1,2-diphenylpropyl]-4-methylbenzenesulfonamide
CID 135056806
(3S)-3-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 674533
(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 122378100
3-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 651622
N-[[dimethyl(phenyl)silyl]-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 135061696

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide (CID 101182507) is N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide is COc1ccccc1C(O)C(NS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide?
The InChIKey is UQLMAFUFTSWOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4S/c1-18-11-15-22(16-12-18)32(29,30)27-25(26(28)23-9-5-6-10-24(23)31-2)21-14-13-19-7-3-4-8-20(19)17-21/h3-17,25-28H,1-2H3.
What are the key properties of N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide?
N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101182507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).