N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

C19H23NO3S — CID 46983806

IUPACN-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCOc1ccccc1CC(=O)N(CCO)Cc1ccc(SC)cc1
InChIInChI=1S/C19H23NO3S/c1-23-18-6-4-3-5-16(18)13-19(22)20(11-12-21)14-15-7-9-17(24-2)10-8-15/h3-10,21H,11-14H2,1-2H3
InChIKeyNUHYBTISLYMOJG-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.98
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide

N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (PubChem CID 46983806) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
PubChem CID46983806
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
SMILESCOc1ccccc1CC(=O)N(CCO)Cc1ccc(SC)cc1
InChIInChI=1S/C19H23NO3S/c1-23-18-6-4-3-5-16(18)13-19(22)20(11-12-21)14-15-7-9-17(24-2)10-8-15/h3-10,21H,11-14H2,1-2H3
InChIKeyNUHYBTISLYMOJG-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide (CID 46983806) is N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide is COc1ccccc1CC(=O)N(CCO)Cc1ccc(SC)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
The InChIKey is NUHYBTISLYMOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-23-18-6-4-3-5-16(18)13-19(22)20(11-12-21)14-15-7-9-17(24-2)10-8-15/h3-10,21H,11-14H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide?
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 46983806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).