N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide

C14H17NO3S — CID 110731727

IUPACN-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CCc2ccccc2)o1
InChIInChI=1S/C14H17NO3S/c1-12-7-8-14(18-12)11-15-19(16,17)10-9-13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3
InChIKeyWEUDPEOZISOTLN-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.25
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide

N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide (PubChem CID 110731727) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
PubChem CID110731727
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)CCc2ccccc2)o1
InChIInChI=1S/C14H17NO3S/c1-12-7-8-14(18-12)11-15-19(16,17)10-9-13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3
InChIKeyWEUDPEOZISOTLN-UHFFFAOYSA-N
XLogP2.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide
CID 62525259
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731718
N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
CID 103110484
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 107233959
(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
CID 64584548
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylethanesulfonamide
CID 110322890
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[[3-(chloromethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 80690880
N-[[3-(bromomethyl)phenyl]methyl]-2-phenylethanesulfonamide
CID 114298015

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide (CID 110731727) is N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide is Cc1ccc(CNS(=O)(=O)CCc2ccccc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide?
The InChIKey is WEUDPEOZISOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-12-7-8-14(18-12)11-15-19(16,17)10-9-13-5-3-2-4-6-13/h2-8,15H,9-11H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide?
N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110731727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).