N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine

C20H26N2O4S — CID 18093981

IUPACN-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H26N2O4S/c1-21(10-15-26-19-7-3-2-4-8-19)17-18-6-5-9-20(16-18)27(23,24)22-11-13-25-14-12-22/h2-9,16H,10-15,17H2,1H3
InChIKeyJHLLNMYXILUWQE-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.22
Rot. Bonds8

About N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine

N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine (PubChem CID 18093981) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
PubChem CID18093981
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H26N2O4S/c1-21(10-15-26-19-7-3-2-4-8-19)17-18-6-5-9-20(16-18)27(23,24)22-11-13-25-14-12-22/h2-9,16H,10-15,17H2,1H3
InChIKeyJHLLNMYXILUWQE-UHFFFAOYSA-N
XLogP2.22
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]methanamine
CID 71891524
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(3-morpholin-4-ylsulfonylphenyl)methanamine
CID 30137390
N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
CID 9113165
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 55696713
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
(4-phenylmethoxyphenyl) 3-morpholin-4-ylsulfonylbenzoate
CID 2634080
N-benzyl-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 9094422
2-[methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]amino]propanoic acid;hydrochloride
CID 119912747
1-[3-[(3-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]ethanone
CID 8531809
phenyl 3-morpholin-4-ylsulfonylbenzoate
CID 2679267
N-ethyl-3-fluoro-N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]aniline
CID 55868879

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine?
The IUPAC name of N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine (CID 18093981) is N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine.
What is the SMILES notation for N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine?
The canonical SMILES for N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine is CN(CCOc1ccccc1)Cc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine?
The InChIKey is JHLLNMYXILUWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-21(10-15-26-19-7-3-2-4-8-19)17-18-6-5-9-20(16-18)27(23,24)22-11-13-25-14-12-22/h2-9,16H,10-15,17H2,1H3.
What are the key properties of N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine?
N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine has a molecular weight of 390.51 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2-phenoxyethanamine is sourced from PubChem (CID 18093981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).