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

C19H22FNO2S — CID 46993965

IUPAC3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2S/c1-24-18-8-5-16(6-9-18)14-21(11-12-22)19(23)10-7-15-3-2-4-17(20)13-15/h2-6,8-9,13,22H,7,10-12,14H2,1H3
InChIKeyHNQPBBCPCYDKPV-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.50
Rot. Bonds8

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

3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide (PubChem CID 46993965) has the molecular formula C19H22FNO2S and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
PubChem CID46993965
Molecular FormulaC19H22FNO2S
Molecular Weight347.46 g/mol
Exact Mass347.14
IUPAC Name3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1
InChIInChI=1S/C19H22FNO2S/c1-24-18-8-5-16(6-9-18)14-21(11-12-22)19(23)10-7-15-3-2-4-17(20)13-15/h2-6,8-9,13,22H,7,10-12,14H2,1H3
InChIKeyHNQPBBCPCYDKPV-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide (CID 46993965) is 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide is CSc1ccc(CN(CCO)C(=O)CCc2cccc(F)c2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The InChIKey is HNQPBBCPCYDKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2S/c1-24-18-8-5-16(6-9-18)14-21(11-12-22)19(23)10-7-15-3-2-4-17(20)13-15/h2-6,8-9,13,22H,7,10-12,14H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide?
3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-[(4-methylsulfanylphenyl)methyl]propanamide is sourced from PubChem (CID 46993965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).