3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide

C17H10Cl2F3NO3S — CID 4830286

IUPAC3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1Cl
InChIInChI=1S/C17H10Cl2F3NO3S/c1-25-11-7-6-10-12(18)15(27-14(10)13(11)19)16(24)23-8-2-4-9(5-3-8)26-17(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeyABDZPUOTOUSTPY-UHFFFAOYSA-N
MW436.24 g/mol
LogP6.37
Rot. Bonds4

About 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide

3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 4830286) has the molecular formula C17H10Cl2F3NO3S and a molecular weight of 436.24 g/mol. Its IUPAC name is 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID4830286
Molecular FormulaC17H10Cl2F3NO3S
Molecular Weight436.24 g/mol
Exact Mass434.97
IUPAC Name3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1Cl
InChIInChI=1S/C17H10Cl2F3NO3S/c1-25-11-7-6-10-12(18)15(27-14(10)13(11)19)16(24)23-8-2-4-9(5-3-8)26-17(20,21)22/h2-7H,1H3,(H,23,24)
InChIKeyABDZPUOTOUSTPY-UHFFFAOYSA-N
XLogP6.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.24
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 8621705
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
3,7-dichloro-N-(2,3-dimethylphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 9042872
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
methyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4514231
[1-(4-ethylanilino)-1-oxopropan-2-yl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 4047598
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate
CID 2378697
3,7-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 1246927
3-methoxy-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 16809642
3-chloro-N-(4-ethoxyphenyl)-6-methoxy-1-benzothiophene-2-carboxamide
CID 4513992
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide (CID 4830286) is 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide is COc1ccc2c(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1Cl.
What is the InChIKey of 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ABDZPUOTOUSTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3NO3S/c1-25-11-7-6-10-12(18)15(27-14(10)13(11)19)16(24)23-8-2-4-9(5-3-8)26-17(20,21)22/h2-7H,1H3,(H,23,24).
What are the key properties of 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide?
3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 436.24 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-6-methoxy-N-[4-(trifluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 4830286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).