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

C20H19NO5S — CID 20859695

IUPACN-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C20H19NO5S/c1-25-17-9-5-6-10-19(17)27(23,24)14-16-11-12-18(26-16)20(22)21-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyYBZWVRJWWVSAGA-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.19
Rot. Bonds7

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

N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859695) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID20859695
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC NameN-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2)o1
InChIInChI=1S/C20H19NO5S/c1-25-17-9-5-6-10-19(17)27(23,24)14-16-11-12-18(26-16)20(22)21-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,22)
InChIKeyYBZWVRJWWVSAGA-UHFFFAOYSA-N
XLogP3.19
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5068893
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-[(2-ethylphenyl)sulfonylmethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4661810
N-benzyl-5-[(4-methylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859579
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-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
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-methoxyphenyl)sulfonylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 5308528
5-(benzenesulfonylmethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 51155551

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide (CID 20859695) is N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccccc2)o1.
What is the InChIKey of N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is YBZWVRJWWVSAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-25-17-9-5-6-10-19(17)27(23,24)14-16-11-12-18(26-16)20(22)21-13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,22).
What are the key properties of N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide?
N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).