N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C16H14ClF3N2O2S — CID 35149223

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O2S/c17-12-2-4-13(5-3-12)24-8-7-21-14(23)10-25-15-6-1-11(9-22-15)16(18,19)20/h1-6,9H,7-8,10H2,(H,21,23)
InChIKeyWZOKJBZCMJQASE-UHFFFAOYSA-N
MW390.81 g/mol
LogP4.04
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 35149223) has the molecular formula C16H14ClF3N2O2S and a molecular weight of 390.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID35149223
Molecular FormulaC16H14ClF3N2O2S
Molecular Weight390.81 g/mol
Exact Mass390.04
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N2O2S/c17-12-2-4-13(5-3-12)24-8-7-21-14(23)10-25-15-6-1-11(9-22-15)16(18,19)20/h1-6,9H,7-8,10H2,(H,21,23)
InChIKeyWZOKJBZCMJQASE-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]propanoic acid
CID 119140122
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 32941899
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N-(2-phenylethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 17440632
N-(3-hydroxy-4-methylpentyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 111460902
N-(3-quinolin-8-yloxypropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 56534857
N-(1-hydroxy-4-methoxybutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 119037667
N-[[3-(phenoxymethyl)phenyl]methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55903101
N-[2-(4-chlorophenoxy)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 40749903
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 134029085
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
N-(2-methylbutan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 47111305

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 35149223) is N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(F)(F)F)cn1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is WZOKJBZCMJQASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2S/c17-12-2-4-13(5-3-12)24-8-7-21-14(23)10-25-15-6-1-11(9-22-15)16(18,19)20/h1-6,9H,7-8,10H2,(H,21,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 390.81 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 35149223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).