N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide

C23H25NO4S — CID 21047159

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CSc3c(C)cccc3C)o2)c(OC)c1
InChIInChI=1S/C23H25NO4S/c1-15-6-5-7-16(2)22(15)29-14-19-10-11-20(28-19)23(25)24-13-17-8-9-18(26-3)12-21(17)27-4/h5-12H,13-14H2,1-4H3,(H,24,25)
InChIKeyJMXZQBVFZLYMQG-UHFFFAOYSA-N
MW411.52 g/mol
LogP5.14
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 21047159) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
PubChem CID21047159
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CSc3c(C)cccc3C)o2)c(OC)c1
InChIInChI=1S/C23H25NO4S/c1-15-6-5-7-16(2)22(15)29-14-19-10-11-20(28-19)23(25)24-13-17-8-9-18(26-3)12-21(17)27-4/h5-12H,13-14H2,1-4H3,(H,24,25)
InChIKeyJMXZQBVFZLYMQG-UHFFFAOYSA-N
XLogP5.14
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047070
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-[(3,4-dimethoxyphenyl)methyl]-5-(2,6-dimethylphenyl)sulfanylfuran-2-carboxamide
CID 21047558
5-[(3-fluorophenyl)methylsulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3505696
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluorobenzamide
CID 46590232
N-[(4-cyanocyclohexyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047914

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide (CID 21047159) is N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(CSc3c(C)cccc3C)o2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide?
The InChIKey is JMXZQBVFZLYMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-15-6-5-7-16(2)22(15)29-14-19-10-11-20(28-19)23(25)24-13-17-8-9-18(26-3)12-21(17)27-4/h5-12H,13-14H2,1-4H3,(H,24,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 21047159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).