N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

C27H24ClNO6S — CID 19446931

IUPACN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3c(C)cccc3C)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C27H24ClNO6S/c1-17-5-4-6-18(2)26(17)34-16-21-9-12-25(35-21)27(30)29-20-13-22(33-3)15-24(14-20)36(31,32)23-10-7-19(28)8-11-23/h4-15H,16H2,1-3H3,(H,29,30)
InChIKeyVGNXQCBTQNYTOH-UHFFFAOYSA-N
MW526.01 g/mol
LogP6.22
Rot. Bonds8

About N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19446931) has the molecular formula C27H24ClNO6S and a molecular weight of 526.01 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19446931
Molecular FormulaC27H24ClNO6S
Molecular Weight526.01 g/mol
Exact Mass525.10
IUPAC NameN-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3c(C)cccc3C)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C27H24ClNO6S/c1-17-5-4-6-18(2)26(17)34-16-21-9-12-25(35-21)27(30)29-20-13-22(33-3)15-24(14-20)36(31,32)23-10-7-19(28)8-11-23/h4-15H,16H2,1-3H3,(H,29,30)
InChIKeyVGNXQCBTQNYTOH-UHFFFAOYSA-N
XLogP6.22
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.01
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467382
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451225
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-(3,4-dichlorophenyl)-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19446793
5-[(2,6-dimethylphenoxy)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446937
N-(3-methoxy-5-nitrophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455035
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
5-[(2-chloro-6-methylphenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19459315
5-[(2,6-dimethylphenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446875
5-[(2,6-dimethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446868

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19446931) is N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(COc3c(C)cccc3C)o2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is VGNXQCBTQNYTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO6S/c1-17-5-4-6-18(2)26(17)34-16-21-9-12-25(35-21)27(30)29-20-13-22(33-3)15-24(14-20)36(31,32)23-10-7-19(28)8-11-23/h4-15H,16H2,1-3H3,(H,29,30).
What are the key properties of N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide?
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 526.01 g/mol, XLogP of 6.22, 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-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).