N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline

C15H19NO3S — CID 75500026

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline
SMILESCCc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)o1
InChIInChI=1S/C15H19NO3S/c1-4-13-7-8-14(19-13)10-16-12-6-5-11(2)15(9-12)20(3,17)18/h5-9,16H,4,10H2,1-3H3
InChIKeyIQKSYLOKJXADIE-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.17
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline

N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline (PubChem CID 75500026) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline
PubChem CID75500026
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline
SMILESCCc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)o1
InChIInChI=1S/C15H19NO3S/c1-4-13-7-8-14(19-13)10-16-12-6-5-11(2)15(9-12)20(3,17)18/h5-9,16H,4,10H2,1-3H3
InChIKeyIQKSYLOKJXADIE-UHFFFAOYSA-N
XLogP3.17
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[(5-ethylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 62346171
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
CID 75518388
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
4-bromo-N-[(5-ethylfuran-2-yl)methyl]-3-iodoaniline
CID 114259462
N-[(5-ethylfuran-2-yl)methyl]-4-propan-2-ylaniline
CID 62345235
3,4-dimethyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 43762015
4-methyl-N-[(4-methyl-3-nitrophenyl)methyl]-3-methylsulfonylaniline
CID 86785176
4-methyl-3-methylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 75518391
4-methyl-N-[[5-[(4-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155533033
5-[(5-ethylfuran-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345999
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline (CID 75500026) is N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline is CCc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline?
The InChIKey is IQKSYLOKJXADIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-4-13-7-8-14(19-13)10-16-12-6-5-11(2)15(9-12)20(3,17)18/h5-9,16H,4,10H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline?
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline has a molecular weight of 293.39 g/mol, XLogP of 3.17, 5 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]-4-methyl-3-methylsulfonylaniline is sourced from PubChem (CID 75500026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).