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

C21H21NO5S — CID 20859588

IUPACN-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C21H21NO5S/c1-15-7-10-18(11-8-15)28(24,25)14-17-9-12-20(27-17)21(23)22-13-16-5-3-4-6-19(16)26-2/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyNJRBONOPECZVNI-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.50
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859588) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID20859588
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)o1
InChIInChI=1S/C21H21NO5S/c1-15-7-10-18(11-8-15)28(24,25)14-17-9-12-20(27-17)21(23)22-13-16-5-3-4-6-19(16)26-2/h3-12H,13-14H2,1-2H3,(H,22,23)
InChIKeyNJRBONOPECZVNI-UHFFFAOYSA-N
XLogP3.50
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859695
N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
5-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 46857856
5-[(4-bromophenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 3593665
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
5-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide (CID 20859588) is N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)o1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is NJRBONOPECZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-15-7-10-18(11-8-15)28(24,25)14-17-9-12-20(27-17)21(23)22-13-16-5-3-4-6-19(16)26-2/h3-12H,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).