N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide

C14H16N2O4S — CID 39791883

IUPACN-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C14H16N2O4S/c1-10-5-6-12(16-11(2)17)8-14(10)21(18,19)15-9-13-4-3-7-20-13/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyJUYQJPWFXFENAU-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.02
Rot. Bonds5

About N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide

N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 39791883) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID39791883
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C14H16N2O4S/c1-10-5-6-12(16-11(2)17)8-14(10)21(18,19)15-9-13-4-3-7-20-13/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyJUYQJPWFXFENAU-UHFFFAOYSA-N
XLogP2.02
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
N-[3-[bis(furan-2-ylmethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 55365023
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 5147041
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
3-[(5-acetamido-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165436
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
4-fluoro-3-(furan-2-ylmethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 3435304
N-(4-bromo-3-methylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 24639566
2-bromo-N-(furan-2-ylmethyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363027
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide (CID 39791883) is N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is JUYQJPWFXFENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-5-6-12(16-11(2)17)8-14(10)21(18,19)15-9-13-4-3-7-20-13/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide?
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 39791883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).