5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide

C25H19BrClNO6S — CID 19450369

IUPAC5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H19BrClNO6S/c1-32-19-12-17(13-21(14-19)35(30,31)20-9-6-16(27)7-10-20)28-25(29)24-11-8-18(34-24)15-33-23-5-3-2-4-22(23)26/h2-14H,15H2,1H3,(H,28,29)
InChIKeyHZMJEAOOGFXPSH-UHFFFAOYSA-N
MW576.85 g/mol
LogP6.37
Rot. Bonds8

About 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide (PubChem CID 19450369) has the molecular formula C25H19BrClNO6S and a molecular weight of 576.85 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
PubChem CID19450369
Molecular FormulaC25H19BrClNO6S
Molecular Weight576.85 g/mol
Exact Mass574.98
IUPAC Name5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C25H19BrClNO6S/c1-32-19-12-17(13-21(14-19)35(30,31)20-9-6-16(27)7-10-20)28-25(29)24-11-8-18(34-24)15-33-23-5-3-2-4-22(23)26/h2-14H,15H2,1H3,(H,28,29)
InChIKeyHZMJEAOOGFXPSH-UHFFFAOYSA-N
XLogP6.37
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.85
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451225
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467382
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446931
5-[(4-butan-2-ylphenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
CID 19450649
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463169
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide
CID 95744847
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19450312
5-[(2-bromophenoxy)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19450327
N-(3-methoxy-5-nitrophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455035

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide (CID 19450369) is 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide?
The InChIKey is HZMJEAOOGFXPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrClNO6S/c1-32-19-12-17(13-21(14-19)35(30,31)20-9-6-16(27)7-10-20)28-25(29)24-11-8-18(34-24)15-33-23-5-3-2-4-22(23)26/h2-14H,15H2,1H3,(H,28,29).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide has a molecular weight of 576.85 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 19450369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).