N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C24H26N2O4S — CID 3112870

IUPACN-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCC(O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-8-12-21(13-9-18)26(31(29,30)22-14-10-19(2)11-15-22)17-24(28)25-16-23(27)20-6-4-3-5-7-20/h3-15,23,27H,16-17H2,1-2H3,(H,25,28)
InChIKeyJPDKGTQYCZSNCY-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.35
Rot. Bonds8

About N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 3112870) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID3112870
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NCC(O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18-8-12-21(13-9-18)26(31(29,30)22-14-10-19(2)11-15-22)17-24(28)25-16-23(27)20-6-4-3-5-7-20/h3-15,23,27H,16-17H2,1-2H3,(H,25,28)
InChIKeyJPDKGTQYCZSNCY-UHFFFAOYSA-N
XLogP3.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 3112870) is N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NCC(O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is JPDKGTQYCZSNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18-8-12-21(13-9-18)26(31(29,30)22-14-10-19(2)11-15-22)17-24(28)25-16-23(27)20-6-4-3-5-7-20/h3-15,23,27H,16-17H2,1-2H3,(H,25,28).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 3112870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).