N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

C21H21NO6S — CID 5068893

IUPACN-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)cc1
InChIInChI=1S/C21H21NO6S/c1-26-16-9-7-15(8-10-16)13-22-21(23)19-12-11-17(28-19)14-29(24,25)20-6-4-3-5-18(20)27-2/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyAPNIGNLGJCSHLI-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.20
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 5068893) has the molecular formula C21H21NO6S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID5068893
Molecular FormulaC21H21NO6S
Molecular Weight415.47 g/mol
Exact Mass415.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)cc1
InChIInChI=1S/C21H21NO6S/c1-26-16-9-7-15(8-10-16)13-22-21(23)19-12-11-17(28-19)14-29(24,25)20-6-4-3-5-18(20)27-2/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyAPNIGNLGJCSHLI-UHFFFAOYSA-N
XLogP3.20
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 46857856
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859588
N-[(3-chloro-4-fluorophenyl)methyl]-5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 46857860
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859714
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
[5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5308528
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (CID 5068893) is N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is APNIGNLGJCSHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6S/c1-26-16-9-7-15(8-10-16)13-22-21(23)19-12-11-17(28-19)14-29(24,25)20-6-4-3-5-18(20)27-2/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5068893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).