5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C22H23NO3S — CID 21046099

IUPAC5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CSc2c(C)cccc2C)o1
InChIInChI=1S/C22H23NO3S/c1-15-7-6-8-16(2)21(15)27-14-18-11-12-20(26-18)22(24)23-13-17-9-4-5-10-19(17)25-3/h4-12H,13-14H2,1-3H3,(H,23,24)
InChIKeySKDUVWZNYSPQRN-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.13
Rot. Bonds7

About 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21046099) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21046099
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CSc2c(C)cccc2C)o1
InChIInChI=1S/C22H23NO3S/c1-15-7-6-8-16(2)21(15)27-14-18-11-12-20(26-18)22(24)23-13-17-9-4-5-10-19(17)25-3/h4-12H,13-14H2,1-3H3,(H,23,24)
InChIKeySKDUVWZNYSPQRN-UHFFFAOYSA-N
XLogP5.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047159
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3505696
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047070
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 4606194
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
N-[(5-bromo-2-methoxyphenyl)methyl]-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4533618
N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727
N-[(4-cyanocyclohexyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047914

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 21046099) is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(CSc2c(C)cccc2C)o1.
What is the InChIKey of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is SKDUVWZNYSPQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-15-7-6-8-16(2)21(15)27-14-18-11-12-20(26-18)22(24)23-13-17-9-4-5-10-19(17)25-3/h4-12H,13-14H2,1-3H3,(H,23,24).
What are the key properties of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21046099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).