5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide

C26H23NO3S — CID 19450775

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)o2)cc1C
InChIInChI=1S/C26H23NO3S/c1-18-12-13-20(16-19(18)2)29-17-21-14-15-24(30-21)26(28)27-23-10-6-7-11-25(23)31-22-8-4-3-5-9-22/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyMZXYNEJUVBOUOD-UHFFFAOYSA-N
MW429.54 g/mol
LogP6.88
Rot. Bonds7

About 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide (PubChem CID 19450775) has the molecular formula C26H23NO3S and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
PubChem CID19450775
Molecular FormulaC26H23NO3S
Molecular Weight429.54 g/mol
Exact Mass429.14
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)o2)cc1C
InChIInChI=1S/C26H23NO3S/c1-18-12-13-20(16-19(18)2)29-17-21-14-15-24(30-21)26(28)27-23-10-6-7-11-25(23)31-22-8-4-3-5-9-22/h3-16H,17H2,1-2H3,(H,27,28)
InChIKeyMZXYNEJUVBOUOD-UHFFFAOYSA-N
XLogP6.88
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19465579
5-[(4-butan-2-ylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19450441
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463234
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451074
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19417062
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
N-[2-(4-chlorophenyl)sulfanylphenyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456610
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
5-[(3,4-dimethylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19450857
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide (CID 19450775) is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)o2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
The InChIKey is MZXYNEJUVBOUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3S/c1-18-12-13-20(16-19(18)2)29-17-21-14-15-24(30-21)26(28)27-23-10-6-7-11-25(23)31-22-8-4-3-5-9-22/h3-16H,17H2,1-2H3,(H,27,28).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19450775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).