5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide

C23H25NO3S — CID 21046091

IUPAC5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(CSc3c(C)cccc3C)o2)c1
InChIInChI=1S/C23H25NO3S/c1-16-6-4-7-17(2)22(16)28-15-20-10-11-21(27-20)23(25)24-13-12-18-8-5-9-19(14-18)26-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,25)
InChIKeyFHKAJINIRNFISR-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.17
Rot. Bonds8

About 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide

5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 21046091) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID21046091
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC Name5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(CSc3c(C)cccc3C)o2)c1
InChIInChI=1S/C23H25NO3S/c1-16-6-4-7-17(2)22(16)28-15-20-10-11-21(27-20)23(25)24-13-12-18-8-5-9-19(14-18)26-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,25)
InChIKeyFHKAJINIRNFISR-UHFFFAOYSA-N
XLogP5.17
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047070
N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047159
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681429
N-[(4-cyanocyclohexyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047914
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107854785
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3252059
N-(2-methoxyethyl)-5-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 42771845

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide (CID 21046091) is 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(CSc3c(C)cccc3C)o2)c1.
What is the InChIKey of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is FHKAJINIRNFISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-16-6-4-7-17(2)22(16)28-15-20-10-11-21(27-20)23(25)24-13-12-18-8-5-9-19(14-18)26-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,25).
What are the key properties of 5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide?
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 5.17, 8 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-(3-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 21046091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).