N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

C20H16Br2FNO3S — CID 19495460

IUPACN-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)Nc2c(Br)cc(F)cc2Br)c1
InChIInChI=1S/C20H16Br2FNO3S/c1-11-3-4-16(17(5-11)26-2)27-9-12-6-18(28-10-12)20(25)24-19-14(21)7-13(23)8-15(19)22/h3-8,10H,9H2,1-2H3,(H,24,25)
InChIKeyMJZKJGUQEOXBES-UHFFFAOYSA-N
MW529.23 g/mol
LogP6.56
Rot. Bonds6

About N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide

N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19495460) has the molecular formula C20H16Br2FNO3S and a molecular weight of 529.23 g/mol. Its IUPAC name is N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19495460
Molecular FormulaC20H16Br2FNO3S
Molecular Weight529.23 g/mol
Exact Mass526.92
IUPAC NameN-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cc(C)ccc1OCc1csc(C(=O)Nc2c(Br)cc(F)cc2Br)c1
InChIInChI=1S/C20H16Br2FNO3S/c1-11-3-4-16(17(5-11)26-2)27-9-12-6-18(28-10-12)20(25)24-19-14(21)7-13(23)8-15(19)22/h3-8,10H,9H2,1-2H3,(H,24,25)
InChIKeyMJZKJGUQEOXBES-UHFFFAOYSA-N
XLogP6.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.23
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxy-4-methylphenoxy)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19497104
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495008
N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
N-(5-chloro-2-pyridinyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495453
N-(1-ethyl-5-methylpyrazol-4-yl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19497119
4-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)thiophene-2-carboxamide
CID 19471602
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
N-(furan-2-ylmethyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495493
N-(4-acetamidophenyl)-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483514
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513
N-(2-methoxy-5-methylphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484576

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide (CID 19495460) is N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is COc1cc(C)ccc1OCc1csc(C(=O)Nc2c(Br)cc(F)cc2Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is MJZKJGUQEOXBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2FNO3S/c1-11-3-4-16(17(5-11)26-2)27-9-12-6-18(28-10-12)20(25)24-19-14(21)7-13(23)8-15(19)22/h3-8,10H,9H2,1-2H3,(H,24,25).
What are the key properties of N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide?
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 529.23 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19495460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).