N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide

C14H14N2O5S — CID 155412686

IUPACN-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C14H14N2O5S/c1-9(17)15-10-3-5-11(6-4-10)16-14(18)12-7-8-13(21-12)22(2,19)20/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyXQWDLVZWOARTSW-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.89
Rot. Bonds4

About N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide

N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide (PubChem CID 155412686) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
PubChem CID155412686
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(S(C)(=O)=O)o2)cc1
InChIInChI=1S/C14H14N2O5S/c1-9(17)15-10-3-5-11(6-4-10)16-14(18)12-7-8-13(21-12)22(2,19)20/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyXQWDLVZWOARTSW-UHFFFAOYSA-N
XLogP1.89
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-methylsulfonylfuran-2-carboxamide
CID 126970956
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
N-(4-acetylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 84575705
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489
N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944389
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944356
2-methyl-2-[4-[(5-methylsulfonylfuran-2-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696515
N-(4-methylsulfonylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630451
N-(ethylaminomethyl)-5-methylsulfonylfuran-2-carboxamide
CID 167081500
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-5-methylsulfonylfuran-2-carboxamide
CID 122193167
5-acetamido-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 110699992
N-(2-methylsulfanylethyl)-5-methylsulfonylfuran-2-carboxamide
CID 86944148

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide (CID 155412686) is N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(S(C)(=O)=O)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is XQWDLVZWOARTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-9(17)15-10-3-5-11(6-4-10)16-14(18)12-7-8-13(21-12)22(2,19)20/h3-8H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide?
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 155412686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).