2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide

C14H20N2O3S — CID 43551834

IUPAC2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
SMILESCCc1c(C(C)NCCS(N)(=O)=O)oc2ccccc12
InChIInChI=1S/C14H20N2O3S/c1-3-11-12-6-4-5-7-13(12)19-14(11)10(2)16-8-9-20(15,17)18/h4-7,10,16H,3,8-9H2,1-2H3,(H2,15,17,18)
InChIKeyXBUMOXCNWCUMTI-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.93
Rot. Bonds6

About 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide

2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide (PubChem CID 43551834) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
PubChem CID43551834
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
SMILESCCc1c(C(C)NCCS(N)(=O)=O)oc2ccccc12
InChIInChI=1S/C14H20N2O3S/c1-3-11-12-6-4-5-7-13(12)19-14(11)10(2)16-8-9-20(15,17)18/h4-7,10,16H,3,8-9H2,1-2H3,(H2,15,17,18)
InChIKeyXBUMOXCNWCUMTI-UHFFFAOYSA-N
XLogP1.93
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43567237
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 104578869
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
CID 61498346
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281276
1-(3-ethyl-1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61043837

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide (CID 43551834) is 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide is CCc1c(C(C)NCCS(N)(=O)=O)oc2ccccc12.
What is the InChIKey of 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide?
The InChIKey is XBUMOXCNWCUMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-11-12-6-4-5-7-13(12)19-14(11)10(2)16-8-9-20(15,17)18/h4-7,10,16H,3,8-9H2,1-2H3,(H2,15,17,18).
What are the key properties of 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide?
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 43551834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).