N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide

C14H15NO4S — CID 110771277

IUPACN-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15NO4S/c1-20(17,18)13-6-4-11(5-7-13)9-14(16)15-10-12-3-2-8-19-12/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyPOXHPOKCPFXCAF-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.54
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide

N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 110771277) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID110771277
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H15NO4S/c1-20(17,18)13-6-4-11(5-7-13)9-14(16)15-10-12-3-2-8-19-12/h2-8H,9-10H2,1H3,(H,15,16)
InChIKeyPOXHPOKCPFXCAF-UHFFFAOYSA-N
XLogP1.54
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 100788465
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
N-(furan-2-ylmethyl)-4-methylsulfonylaniline
CID 3511468
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
N-(furan-2-ylmethyl)-2-[methyl-(4-propylphenyl)sulfonylamino]acetamide
CID 18170892
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 110343476
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
4-(dimethylsulfamoyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118985
2-[4-(3-acetamidophenyl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 90681433

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide (CID 110771277) is N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is POXHPOKCPFXCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-20(17,18)13-6-4-11(5-7-13)9-14(16)15-10-12-3-2-8-19-12/h2-8H,9-10H2,1H3,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 293.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).