N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

C14H18F3NO2S — CID 103915456

IUPACN-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CSCC(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c1-11-2-4-12(5-3-11)8-21-9-13(20)18(6-7-19)10-14(15,16)17/h2-5,19H,6-10H2,1H3
InChIKeyQQNZGUXXBDHOGS-UHFFFAOYSA-N
MW321.36 g/mol
LogP2.61
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103915456) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103915456
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC NameN-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(CSCC(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO2S/c1-11-2-4-12(5-3-11)8-21-9-13(20)18(6-7-19)10-14(15,16)17/h2-5,19H,6-10H2,1H3
InChIKeyQQNZGUXXBDHOGS-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 60629714
N-propyl-2-(pyridin-4-ylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51099484
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54904791
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106312218
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-benzylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86998537
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]acetamide
CID 83518576
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390
2-[(4-bromophenyl)methylsulfanyl]-N,N-diethylacetamide
CID 967739
4-[[2-(4-methylphenyl)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 82178483

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 103915456) is N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(CSCC(=O)N(CCO)CC(F)(F)F)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QQNZGUXXBDHOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-11-2-4-12(5-3-11)8-21-9-13(20)18(6-7-19)10-14(15,16)17/h2-5,19H,6-10H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 321.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103915456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).