N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide

C13H22N2O4S — CID 120717566

IUPACN-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H22N2O4S/c1-18-9-8-14-6-7-15-20(16,17)11-12-4-3-5-13(10-12)19-2/h3-5,10,14-15H,6-9,11H2,1-2H3
InChIKeyNAAYXPAAQRWNBA-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.35
Rot. Bonds10

About N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide

N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide (PubChem CID 120717566) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
PubChem CID120717566
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOCCNCCNS(=O)(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H22N2O4S/c1-18-9-8-14-6-7-15-20(16,17)11-12-4-3-5-13(10-12)19-2/h3-5,10,14-15H,6-9,11H2,1-2H3
InChIKeyNAAYXPAAQRWNBA-UHFFFAOYSA-N
XLogP0.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.35
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-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
1-(3-fluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717949
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
1-(3,5-dichlorophenyl)-N-[2-(2-methoxyethylamino)ethyl]methanesulfonamide
CID 120717866
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide
CID 83039199
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
N-[2-(2-methoxyethylamino)ethyl]-2-phenylethanesulfonamide;hydrochloride
CID 120717380
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
CID 116591504
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide (CID 120717566) is N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide is COCCNCCNS(=O)(=O)Cc1cccc(OC)c1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is NAAYXPAAQRWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-18-9-8-14-6-7-15-20(16,17)11-12-4-3-5-13(10-12)19-2/h3-5,10,14-15H,6-9,11H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide?
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 120717566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).