4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide

C18H12Cl3NO2S — CID 19503002

IUPAC4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C18H12Cl3NO2S/c19-12-6-13(20)8-14(7-12)22-18(23)17-5-11(10-25-17)9-24-16-4-2-1-3-15(16)21/h1-8,10H,9H2,(H,22,23)
InChIKeyFOIJMSGACFLOIA-UHFFFAOYSA-N
MW412.73 g/mol
LogP6.54
Rot. Bonds5

About 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide

4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide (PubChem CID 19503002) has the molecular formula C18H12Cl3NO2S and a molecular weight of 412.73 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
PubChem CID19503002
Molecular FormulaC18H12Cl3NO2S
Molecular Weight412.73 g/mol
Exact Mass410.97
IUPAC Name4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc(COc2ccccc2Cl)cs1
InChIInChI=1S/C18H12Cl3NO2S/c19-12-6-13(20)8-14(7-12)22-18(23)17-5-11(10-25-17)9-24-16-4-2-1-3-15(16)21/h1-8,10H,9H2,(H,22,23)
InChIKeyFOIJMSGACFLOIA-UHFFFAOYSA-N
XLogP6.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503027
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505356
N-(4-bromo-2-fluorophenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503044
4-[(2-chlorophenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19503120
N-(3-chlorophenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501054
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503171
4-[(2-chlorophenoxy)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 19503099
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19503134
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19496923
4-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503147

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide (CID 19503002) is 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(COc2ccccc2Cl)cs1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
The InChIKey is FOIJMSGACFLOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl3NO2S/c19-12-6-13(20)8-14(7-12)22-18(23)17-5-11(10-25-17)9-24-16-4-2-1-3-15(16)21/h1-8,10H,9H2,(H,22,23).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide?
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide has a molecular weight of 412.73 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19503002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).