N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide

C14H12Cl3NO2S — CID 7918061

IUPACN-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C14H12Cl3NO2S/c1-8(13-3-2-4-21-13)18-14(19)7-20-12-6-10(16)9(15)5-11(12)17/h2-6,8H,7H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyDHRYOQDNKQWYAI-QMMMGPOBSA-N
MW364.68 g/mol
LogP4.96
Rot. Bonds5

About N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide

N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide (PubChem CID 7918061) has the molecular formula C14H12Cl3NO2S and a molecular weight of 364.68 g/mol. Its IUPAC name is N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
PubChem CID7918061
Molecular FormulaC14H12Cl3NO2S
Molecular Weight364.68 g/mol
Exact Mass362.97
IUPAC NameN-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C14H12Cl3NO2S/c1-8(13-3-2-4-21-13)18-14(19)7-20-12-6-10(16)9(15)5-11(12)17/h2-6,8H,7H2,1H3,(H,18,19)/t8-/m0/s1
InChIKeyDHRYOQDNKQWYAI-QMMMGPOBSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8716298
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832863
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
CID 40616574
2-(5-fluoro-2-nitrophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7438328
2-(5-fluoro-2-nitrophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 78484094

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The IUPAC name of N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide (CID 7918061) is N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide is C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccs1.
What is the InChIKey of N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
The InChIKey is DHRYOQDNKQWYAI-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12Cl3NO2S/c1-8(13-3-2-4-21-13)18-14(19)7-20-12-6-10(16)9(15)5-11(12)17/h2-6,8H,7H2,1H3,(H,18,19)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide?
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide has a molecular weight of 364.68 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide is sourced from PubChem (CID 7918061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).