N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline

C15H19NO3S — CID 62524394

IUPACN-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccc(NCc2ccc(C)o2)cc1
InChIInChI=1S/C15H19NO3S/c1-3-10-20(17,18)15-8-5-13(6-9-15)16-11-14-7-4-12(2)19-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyMYFAQLNPOXRFQK-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.38
Rot. Bonds6

About N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline

N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline (PubChem CID 62524394) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline
PubChem CID62524394
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline
SMILESCCCS(=O)(=O)c1ccc(NCc2ccc(C)o2)cc1
InChIInChI=1S/C15H19NO3S/c1-3-10-20(17,18)15-8-5-13(6-9-15)16-11-14-7-4-12(2)19-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyMYFAQLNPOXRFQK-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
4-ethylsulfonyl-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43782384
N-[(5-methylfuran-2-yl)methyl]-4-pentylaniline
CID 29295111
4-[(4-propylsulfonylanilino)methyl]aniline
CID 60874910
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
N-(1H-imidazol-2-ylmethyl)-4-propylsulfonylaniline
CID 64530090
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
2-methyl-N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]propanamide
CID 43683738
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 60780224
tert-butyl N-[4-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 103818453

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline (CID 62524394) is N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline is CCCS(=O)(=O)c1ccc(NCc2ccc(C)o2)cc1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline?
The InChIKey is MYFAQLNPOXRFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-3-10-20(17,18)15-8-5-13(6-9-15)16-11-14-7-4-12(2)19-14/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline?
N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline has a molecular weight of 293.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-4-propylsulfonylaniline is sourced from PubChem (CID 62524394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).