N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide

C14H12Cl3NO2S — CID 46419385

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
SMILESCC(NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C14H12Cl3NO2S/c1-8(12-4-5-13(17)21-12)18-14(19)7-20-11-6-9(15)2-3-10(11)16/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyKMGSHNRDBXJOIR-UHFFFAOYSA-N
MW364.68 g/mol
LogP4.96
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide

N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 46419385) has the molecular formula C14H12Cl3NO2S and a molecular weight of 364.68 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
PubChem CID46419385
Molecular FormulaC14H12Cl3NO2S
Molecular Weight364.68 g/mol
Exact Mass362.97
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
SMILESCC(NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C14H12Cl3NO2S/c1-8(12-4-5-13(17)21-12)18-14(19)7-20-11-6-9(15)2-3-10(11)16/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyKMGSHNRDBXJOIR-UHFFFAOYSA-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

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Related Compounds

2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 119585484
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 24683076
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 8578495
2-(2,5-dichlorophenoxy)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 94820566
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 107564359
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylacetamide
CID 965257
(2S)-2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822223

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide (CID 46419385) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide is CC(NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is KMGSHNRDBXJOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2S/c1-8(12-4-5-13(17)21-12)18-14(19)7-20-11-6-9(15)2-3-10(11)16/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)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-[1-(5-chlorothiophen-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 46419385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).