2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide

C10H12Cl3NO2S — CID 106306811

IUPAC2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOCCCl)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl3NO2S/c11-2-5-16-4-1-3-14-10(15)7-6-8(12)17-9(7)13/h6H,1-5H2,(H,14,15)
InChIKeyZPSJTYSDBLAERV-UHFFFAOYSA-N
MW316.64 g/mol
LogP3.43
Rot. Bonds7

About 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide

2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide (PubChem CID 106306811) has the molecular formula C10H12Cl3NO2S and a molecular weight of 316.64 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide
PubChem CID106306811
Molecular FormulaC10H12Cl3NO2S
Molecular Weight316.64 g/mol
Exact Mass314.97
IUPAC Name2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide
SMILESO=C(NCCCOCCCl)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H12Cl3NO2S/c11-2-5-16-4-1-3-14-10(15)7-6-8(12)17-9(7)13/h6H,1-5H2,(H,14,15)
InChIKeyZPSJTYSDBLAERV-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(6-hydroxyhexyl)thiophene-3-carboxamide
CID 103919609
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-iodobenzamide
CID 114171392
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]butanoate
CID 103604563
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-hydroxybenzamide
CID 106307111
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
CID 114171329
3-chloro-N-[3-(2-chloroethoxy)propyl]thiophene-2-carboxamide
CID 106307128
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
2,5-dichloro-N-(3-chlorobutyl)thiophene-3-carboxamide
CID 107966047
N-[3-(2-chloroethoxy)propyl]-2,6-dihydroxybenzamide
CID 106307093
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide (CID 106306811) is 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide is O=C(NCCCOCCCl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide?
The InChIKey is ZPSJTYSDBLAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO2S/c11-2-5-16-4-1-3-14-10(15)7-6-8(12)17-9(7)13/h6H,1-5H2,(H,14,15).
What are the key properties of 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide?
2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide has a molecular weight of 316.64 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(2-chloroethoxy)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 106306811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).