N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

C14H22N2O5S — CID 90623418

IUPACN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cccc(C(CNC(=O)CN(C)S(C)(=O)=O)OC)c1
InChIInChI=1S/C14H22N2O5S/c1-16(22(4,18)19)10-14(17)15-9-13(21-3)11-6-5-7-12(8-11)20-2/h5-8,13H,9-10H2,1-4H3,(H,15,17)
InChIKeyLAKFSABKBAUTEE-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.39
Rot. Bonds8

About N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 90623418) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID90623418
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCOc1cccc(C(CNC(=O)CN(C)S(C)(=O)=O)OC)c1
InChIInChI=1S/C14H22N2O5S/c1-16(22(4,18)19)10-14(17)15-9-13(21-3)11-6-5-7-12(8-11)20-2/h5-8,13H,9-10H2,1-4H3,(H,15,17)
InChIKeyLAKFSABKBAUTEE-UHFFFAOYSA-N
XLogP0.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 90623282
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-(4-fluorophenoxy)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 90623316
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
N'-cyclopropyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168551
5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623399
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 90623418) is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is COc1cccc(C(CNC(=O)CN(C)S(C)(=O)=O)OC)c1.
What is the InChIKey of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is LAKFSABKBAUTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-16(22(4,18)19)10-14(17)15-9-13(21-3)11-6-5-7-12(8-11)20-2/h5-8,13H,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 330.41 g/mol, XLogP of 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 90623418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).