N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide

C13H18N2O4S — CID 43771801

IUPACN-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
SMILESCOc1cccc2cc(CNCCNS(C)(=O)=O)oc12
InChIInChI=1S/C13H18N2O4S/c1-18-12-5-3-4-10-8-11(19-13(10)12)9-14-6-7-15-20(2,16)17/h3-5,8,14-15H,6-7,9H2,1-2H3
InChIKeyXQCBUGSZJRKSOY-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.08
Rot. Bonds7

About N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide

N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide (PubChem CID 43771801) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
PubChem CID43771801
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
SMILESCOc1cccc2cc(CNCCNS(C)(=O)=O)oc12
InChIInChI=1S/C13H18N2O4S/c1-18-12-5-3-4-10-8-11(19-13(10)12)9-14-6-7-15-20(2,16)17/h3-5,8,14-15H,6-7,9H2,1-2H3
InChIKeyXQCBUGSZJRKSOY-UHFFFAOYSA-N
XLogP1.08
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396540
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide (CID 43771801) is N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide is COc1cccc2cc(CNCCNS(C)(=O)=O)oc12.
What is the InChIKey of N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide?
The InChIKey is XQCBUGSZJRKSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-18-12-5-3-4-10-8-11(19-13(10)12)9-14-6-7-15-20(2,16)17/h3-5,8,14-15H,6-7,9H2,1-2H3.
What are the key properties of N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide?
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43771801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).