N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide

C19H24N2O3S — CID 90142378

IUPACN-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(CNCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(21-25(2,22)23)16-9-7-15(8-10-16)12-20-13-18-11-17-5-3-4-6-19(17)24-18/h3-10,14,18,20-21H,11-13H2,1-2H3/t14-,18?/m1/s1
InChIKeyKQNMBFCLFUEHFO-IKJXHCRLSA-N
MW360.48 g/mol
LogP2.39
Rot. Bonds7

About N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide

N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide (PubChem CID 90142378) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide
PubChem CID90142378
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(CNCC2Cc3ccccc3O2)cc1
InChIInChI=1S/C19H24N2O3S/c1-14(21-25(2,22)23)16-9-7-15(8-10-16)12-20-13-18-11-17-5-3-4-6-19(17)24-18/h3-10,14,18,20-21H,11-13H2,1-2H3/t14-,18?/m1/s1
InChIKeyKQNMBFCLFUEHFO-IKJXHCRLSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide with MolForge

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Related Compounds

N-[(1R)-1-[4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 118417109
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-[3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)propyl]methanesulfonamide
CID 106336807
N-[(1R)-1-[4-[(3,4-dihydro-2H-1,4-benzoxazin-3-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide;dihydrochloride
CID 140692403
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]methanamine
CID 63646715
(1R)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 79036025
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 83230829

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide (CID 90142378) is N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1ccc(CNCC2Cc3ccccc3O2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is KQNMBFCLFUEHFO-IKJXHCRLSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14(21-25(2,22)23)16-9-7-15(8-10-16)12-20-13-18-11-17-5-3-4-6-19(17)24-18/h3-10,14,18,20-21H,11-13H2,1-2H3/t14-,18?/m1/s1.
What are the key properties of N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide?
N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 90142378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).