N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide

C19H23NO3S — CID 50973127

IUPACN-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide
SMILESCSc1ccc(CN(CCO)C(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-24-18-9-7-16(8-10-18)15-20(12-13-21)19(22)11-14-23-17-5-3-2-4-6-17/h2-10,21H,11-15H2,1H3
InChIKeyWFUYTBYBHZHKML-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.20
Rot. Bonds9

About N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide

N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide (PubChem CID 50973127) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide
PubChem CID50973127
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide
SMILESCSc1ccc(CN(CCO)C(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO3S/c1-24-18-9-7-16(8-10-18)15-20(12-13-21)19(22)11-14-23-17-5-3-2-4-6-17/h2-10,21H,11-15H2,1H3
InChIKeyWFUYTBYBHZHKML-UHFFFAOYSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide (CID 50973127) is N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide is CSc1ccc(CN(CCO)C(=O)CCOc2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide?
The InChIKey is WFUYTBYBHZHKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-24-18-9-7-16(8-10-18)15-20(12-13-21)19(22)11-14-23-17-5-3-2-4-6-17/h2-10,21H,11-15H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide?
N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide has a molecular weight of 345.46 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 50973127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).