2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide

C14H18N2O3S — CID 102675958

IUPAC2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC(c1ccccc1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-15-20(17,18)11-9-16-14(13-8-5-10-19-13)12-6-3-2-4-7-12/h2-8,10,14-16H,9,11H2,1H3
InChIKeyJFZTXJLGFREPRF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.51
Rot. Bonds7

About 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide

2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide (PubChem CID 102675958) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
PubChem CID102675958
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC(c1ccccc1)c1ccco1
InChIInChI=1S/C14H18N2O3S/c1-15-20(17,18)11-9-16-14(13-8-5-10-19-13)12-6-3-2-4-7-12/h2-8,10,14-16H,9,11H2,1H3
InChIKeyJFZTXJLGFREPRF-UHFFFAOYSA-N
XLogP1.51
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104926281
2-[[furan-2-yl(phenyl)methyl]sulfamoyl]acetic acid
CID 60780500
N-[furan-2-yl(phenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 64629529
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(methylcarbamoyl)acetamide
CID 8755288
N-[furan-2-yl(phenyl)methyl]prop-2-en-1-amine
CID 43177085
N-[furan-2-yl(phenyl)methyl]-2-prop-2-enylsulfanylethanamine
CID 104531327
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 8755034
N-[furan-2-yl(phenyl)methyl]-2-morpholin-4-ylethanamine
CID 43178931
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-ethylethanesulfonamide
CID 106334631
N-[furan-2-yl(phenyl)methyl]-2-thiomorpholin-4-ylethanamine
CID 104531158
3-ethyl-1-[[furan-2-yl(phenyl)methyl]amino]pentan-2-ol
CID 104531149
(1R)-1-(furan-2-yl)-N-[furan-2-yl(phenyl)methyl]ethanamine
CID 81402613

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide (CID 102675958) is 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNC(c1ccccc1)c1ccco1.
What is the InChIKey of 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide?
The InChIKey is JFZTXJLGFREPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-15-20(17,18)11-9-16-14(13-8-5-10-19-13)12-6-3-2-4-7-12/h2-8,10,14-16H,9,11H2,1H3.
What are the key properties of 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide?
2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-yl(phenyl)methyl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 102675958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).