N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide

C18H24N2O3S — CID 45479965

IUPACN-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)CCNCCc1ccccc1
InChIInChI=1S/C18H24N2O3S/c1-23-18-10-6-5-9-17(18)15-20-24(21,22)14-13-19-12-11-16-7-3-2-4-8-16/h2-10,19-20H,11-15H2,1H3
InChIKeyGMNVEWGRUACXDB-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.95
Rot. Bonds10

About N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide

N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide (PubChem CID 45479965) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide
PubChem CID45479965
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)CCNCCc1ccccc1
InChIInChI=1S/C18H24N2O3S/c1-23-18-10-6-5-9-17(18)15-20-24(21,22)14-13-19-12-11-16-7-3-2-4-8-16/h2-10,19-20H,11-15H2,1H3
InChIKeyGMNVEWGRUACXDB-UHFFFAOYSA-N
XLogP1.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide (CID 45479965) is N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide is COc1ccccc1CNS(=O)(=O)CCNCCc1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide?
The InChIKey is GMNVEWGRUACXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-23-18-10-6-5-9-17(18)15-20-24(21,22)14-13-19-12-11-16-7-3-2-4-8-16/h2-10,19-20H,11-15H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide?
N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(2-phenylethylamino)ethanesulfonamide is sourced from PubChem (CID 45479965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).