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

C26H22ClNO7S — CID 19451225

IUPACN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3cc(OC)cc(S(=O)(=O)c4ccc(Cl)cc4)c3)o2)cc1
InChIInChI=1S/C26H22ClNO7S/c1-32-19-5-7-20(8-6-19)34-16-21-9-12-25(35-21)26(29)28-18-13-22(33-2)15-24(14-18)36(30,31)23-10-3-17(27)4-11-23/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeyMDDDAIPSJNEZFL-UHFFFAOYSA-N
MW527.98 g/mol
LogP5.61
Rot. Bonds9

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

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19451225) has the molecular formula C26H22ClNO7S and a molecular weight of 527.98 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19451225
Molecular FormulaC26H22ClNO7S
Molecular Weight527.98 g/mol
Exact Mass527.08
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3cc(OC)cc(S(=O)(=O)c4ccc(Cl)cc4)c3)o2)cc1
InChIInChI=1S/C26H22ClNO7S/c1-32-19-5-7-20(8-6-19)34-16-21-9-12-25(35-21)26(29)28-18-13-22(33-2)15-24(14-18)36(30,31)23-10-3-17(27)4-11-23/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeyMDDDAIPSJNEZFL-UHFFFAOYSA-N
XLogP5.61
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.98
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467382
5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
CID 19450369
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446931
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463169
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-ethylphenoxy)methyl]-N-(3-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 19446630
5-[(4-chlorophenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19413705
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451127
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446179

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19451225) is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccc(OCc2ccc(C(=O)Nc3cc(OC)cc(S(=O)(=O)c4ccc(Cl)cc4)c3)o2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is MDDDAIPSJNEZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO7S/c1-32-19-5-7-20(8-6-19)34-16-21-9-12-25(35-21)26(29)28-18-13-22(33-2)15-24(14-18)36(30,31)23-10-3-17(27)4-11-23/h3-15H,16H2,1-2H3,(H,28,29).
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 527.98 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19451225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).