N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide

C14H24N2O3S — CID 106087001

IUPACN-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1ccccc1CCOC
InChIInChI=1S/C14H24N2O3S/c1-15-10-5-6-12-20(17,18)16-14-8-4-3-7-13(14)9-11-19-2/h3-4,7-8,15-16H,5-6,9-12H2,1-2H3
InChIKeyKCIBKCIZICNPNY-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.62
Rot. Bonds10

About N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide

N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide (PubChem CID 106087001) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
PubChem CID106087001
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
SMILESCNCCCCS(=O)(=O)Nc1ccccc1CCOC
InChIInChI=1S/C14H24N2O3S/c1-15-10-5-6-12-20(17,18)16-14-8-4-3-7-13(14)9-11-19-2/h3-4,7-8,15-16H,5-6,9-12H2,1-2H3
InChIKeyKCIBKCIZICNPNY-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
CID 106003223
1-chloro-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102907633
1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102906168
4-(methylamino)-N-[2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 106057256
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
CID 106003237
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648
N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
3-(propylamino)-N-(2-propylphenyl)propane-1-sulfonamide
CID 106003440
N-[2-(2-hydroxyethyl)phenyl]butane-1-sulfonamide
CID 173327955
4-fluoro-N-[2-(2-methoxyethyl)phenyl]benzenesulfonamide
CID 102846903
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide (CID 106087001) is N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide is CNCCCCS(=O)(=O)Nc1ccccc1CCOC.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide?
The InChIKey is KCIBKCIZICNPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-15-10-5-6-12-20(17,18)16-14-8-4-3-7-13(14)9-11-19-2/h3-4,7-8,15-16H,5-6,9-12H2,1-2H3.
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide?
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide is sourced from PubChem (CID 106087001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).