N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide

C16H24N2O4S — CID 75477505

IUPACN-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide
SMILESCOc1ccc2oc(C(C)NCCN(C)S(C)(=O)=O)c(C)c2c1
InChIInChI=1S/C16H24N2O4S/c1-11-14-10-13(21-4)6-7-15(14)22-16(11)12(2)17-8-9-18(3)23(5,19)20/h6-7,10,12,17H,8-9H2,1-5H3
InChIKeyCQWLQMSWNIEAMZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.29
Rot. Bonds7

About N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide

N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide (PubChem CID 75477505) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide
PubChem CID75477505
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide
SMILESCOc1ccc2oc(C(C)NCCN(C)S(C)(=O)=O)c(C)c2c1
InChIInChI=1S/C16H24N2O4S/c1-11-14-10-13(21-4)6-7-15(14)22-16(11)12(2)17-8-9-18(3)23(5,19)20/h6-7,10,12,17H,8-9H2,1-5H3
InChIKeyCQWLQMSWNIEAMZ-UHFFFAOYSA-N
XLogP2.29
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353548
(1R)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353550
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161
2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine
CID 75504801
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
CID 120631158
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
CID 133291938
4-chloro-5-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-2-methylpyridazin-3-one
CID 133291939
6-fluoro-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyridin-2-amine
CID 133291964
N-[2-(methanesulfonamido)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 86922051
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133291954

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide (CID 75477505) is N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide is COc1ccc2oc(C(C)NCCN(C)S(C)(=O)=O)c(C)c2c1.
What is the InChIKey of N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is CQWLQMSWNIEAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11-14-10-13(21-4)6-7-15(14)22-16(11)12(2)17-8-9-18(3)23(5,19)20/h6-7,10,12,17H,8-9H2,1-5H3.
What are the key properties of N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide?
N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 75477505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).