2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide

C14H12Cl3NO2S — CID 55431451

IUPAC2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H12Cl3NO2S/c1-18(14(19)11-8-12(16)21-13(11)17)5-6-20-10-4-2-3-9(15)7-10/h2-4,7-8H,5-6H2,1H3
InChIKeyVWYIWNLZMZTWSN-UHFFFAOYSA-N
MW364.68 g/mol
LogP4.86
Rot. Bonds5

About 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide

2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide (PubChem CID 55431451) has the molecular formula C14H12Cl3NO2S and a molecular weight of 364.68 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
PubChem CID55431451
Molecular FormulaC14H12Cl3NO2S
Molecular Weight364.68 g/mol
Exact Mass362.97
IUPAC Name2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H12Cl3NO2S/c1-18(14(19)11-8-12(16)21-13(11)17)5-6-20-10-4-2-3-9(15)7-10/h2-4,7-8H,5-6H2,1H3
InChIKeyVWYIWNLZMZTWSN-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.68
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31643907
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-4,5-dimethoxy-N-methylbenzamide
CID 31643778
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide (CID 55431451) is 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide?
The InChIKey is VWYIWNLZMZTWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO2S/c1-18(14(19)11-8-12(16)21-13(11)17)5-6-20-10-4-2-3-9(15)7-10/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide?
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide has a molecular weight of 364.68 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 55431451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).