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

C18H24N2O4S — CID 45479977

IUPACN-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1ccccc1CNCCS(=O)(=O)NCc1ccccc1OC
InChIInChI=1S/C18H24N2O4S/c1-23-17-9-5-3-7-15(17)13-19-11-12-25(21,22)20-14-16-8-4-6-10-18(16)24-2/h3-10,19-20H,11-14H2,1-2H3
InChIKeyUERVXSRCXXGEFQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.91
Rot. Bonds10

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

N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide (PubChem CID 45479977) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide
PubChem CID45479977
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide
SMILESCOc1ccccc1CNCCS(=O)(=O)NCc1ccccc1OC
InChIInChI=1S/C18H24N2O4S/c1-23-17-9-5-3-7-15(17)13-19-11-12-25(21,22)20-14-16-8-4-6-10-18(16)24-2/h3-10,19-20H,11-14H2,1-2H3
InChIKeyUERVXSRCXXGEFQ-UHFFFAOYSA-N
XLogP1.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide (CID 45479977) is N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide is COc1ccccc1CNCCS(=O)(=O)NCc1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide?
The InChIKey is UERVXSRCXXGEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-23-17-9-5-3-7-15(17)13-19-11-12-25(21,22)20-14-16-8-4-6-10-18(16)24-2/h3-10,19-20H,11-14H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide?
N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)methylamino]ethanesulfonamide is sourced from PubChem (CID 45479977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).