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

C26H22ClNO6S — CID 19467382

IUPACN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cccc(C)c3)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H22ClNO6S/c1-17-4-3-5-20(12-17)33-16-21-8-11-25(34-21)26(29)28-19-13-22(32-2)15-24(14-19)35(30,31)23-9-6-18(27)7-10-23/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeyMWMGWGLUHXFFFN-UHFFFAOYSA-N
MW511.98 g/mol
LogP5.91
Rot. Bonds8

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

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19467382) has the molecular formula C26H22ClNO6S and a molecular weight of 511.98 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19467382
Molecular FormulaC26H22ClNO6S
Molecular Weight511.98 g/mol
Exact Mass511.09
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cccc(C)c3)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H22ClNO6S/c1-17-4-3-5-20(12-17)33-16-21-8-11-25(34-21)26(29)28-19-13-22(32-2)15-24(14-19)35(30,31)23-9-6-18(27)7-10-23/h3-15H,16H2,1-2H3,(H,28,29)
InChIKeyMWMGWGLUHXFFFN-UHFFFAOYSA-N
XLogP5.91
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.98
LogP ≤ 55.91
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-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446931
5-[(2-bromophenoxy)methyl]-N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]furan-2-carboxamide
CID 19450369
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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465565
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467344
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-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (CID 19467382) is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(COc3cccc(C)c3)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is MWMGWGLUHXFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO6S/c1-17-4-3-5-20(12-17)33-16-21-8-11-25(34-21)26(29)28-19-13-22(32-2)15-24(14-19)35(30,31)23-9-6-18(27)7-10-23/h3-15H,16H2,1-2H3,(H,28,29).
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 511.98 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19467382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).