N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline

C15H19NO3S — CID 62346709

IUPACN-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
SMILESCCc1ccc(CNc2ccccc2S(=O)(=O)CC)o1
InChIInChI=1S/C15H19NO3S/c1-3-12-9-10-13(19-12)11-16-14-7-5-6-8-15(14)20(17,18)4-2/h5-10,16H,3-4,11H2,1-2H3
InChIKeyZLVQKKISTSSFSR-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.25
Rot. Bonds6

About N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline

N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline (PubChem CID 62346709) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
PubChem CID62346709
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
SMILESCCc1ccc(CNc2ccccc2S(=O)(=O)CC)o1
InChIInChI=1S/C15H19NO3S/c1-3-12-9-10-13(19-12)11-16-14-7-5-6-8-15(14)20(17,18)4-2/h5-10,16H,3-4,11H2,1-2H3
InChIKeyZLVQKKISTSSFSR-UHFFFAOYSA-N
XLogP3.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 43738181
5-[(2-ethylsulfonylanilino)methyl]furan-2-carboxamide
CID 100664717
N-[(5-ethylfuran-2-yl)methyl]-2-nitroaniline
CID 62344545
N-[(2,6-dichlorophenyl)methyl]-2-ethylsulfonylaniline
CID 43738191
N-[(5-ethylfuran-2-yl)methyl]-2,3-difluoroaniline
CID 55062030
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
2-[(5-chlorofuran-2-yl)methylamino]-N-ethylbenzenesulfonamide
CID 60780514
N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide
CID 43792036
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277
3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
CID 55062751
N-[[2-[(5-ethylfuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 62345794
3-[(2-ethylsulfonylanilino)methyl]-2-methylaniline
CID 103110760

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline (CID 62346709) is N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline is CCc1ccc(CNc2ccccc2S(=O)(=O)CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline?
The InChIKey is ZLVQKKISTSSFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-3-12-9-10-13(19-12)11-16-14-7-5-6-8-15(14)20(17,18)4-2/h5-10,16H,3-4,11H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline?
N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline has a molecular weight of 293.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline is sourced from PubChem (CID 62346709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).