N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide

C23H25NO5S — CID 22554556

IUPACN-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccc(CS(=O)c3ccccc3C)o2)c1
InChIInChI=1S/C23H25NO5S/c1-16-6-4-5-7-22(16)30(26)15-19-9-11-21(29-19)23(25)24-13-12-17-14-18(27-2)8-10-20(17)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,25)
InChIKeyZUYCLBZXWPTVQC-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.89
Rot. Bonds9

About N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide

N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554556) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554556
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC NameN-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccc(CS(=O)c3ccccc3C)o2)c1
InChIInChI=1S/C23H25NO5S/c1-16-6-4-5-7-22(16)30(26)15-19-9-11-21(29-19)23(25)24-13-12-17-14-18(27-2)8-10-20(17)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,25)
InChIKeyZUYCLBZXWPTVQC-UHFFFAOYSA-N
XLogP3.89
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromophenyl)sulfonylmethyl]-N-[2-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 5123643
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]furan-2-carboxamide
CID 21046909
N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859562
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 22554763
N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 5309672
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187
5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 3875007
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554556) is N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide is COc1ccc(OC)c(CCNC(=O)c2ccc(CS(=O)c3ccccc3C)o2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is ZUYCLBZXWPTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-16-6-4-5-7-22(16)30(26)15-19-9-11-21(29-19)23(25)24-13-12-17-14-18(27-2)8-10-20(17)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide?
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).