1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone

C20H25NO3S — CID 74225388

IUPAC1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(Cc3sccc3C)CCO2)cc1C
InChIInChI=1S/C20H25NO3S/c1-14-6-9-25-20(14)12-21-7-8-23-18(11-21)13-24-17-4-5-19(16(3)22)15(2)10-17/h4-6,9-10,18H,7-8,11-13H2,1-3H3
InChIKeyUGBRZYHFJJFDIU-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.85
Rot. Bonds6

About 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone

1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone (PubChem CID 74225388) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
PubChem CID74225388
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(Cc3sccc3C)CCO2)cc1C
InChIInChI=1S/C20H25NO3S/c1-14-6-9-25-20(14)12-21-7-8-23-18(11-21)13-24-17-4-5-19(16(3)22)15(2)10-17/h4-6,9-10,18H,7-8,11-13H2,1-3H3
InChIKeyUGBRZYHFJJFDIU-UHFFFAOYSA-N
XLogP3.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,4-dimethoxy-2-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74224424
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 74224273
1-[3,5-difluoro-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 74226394
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrimidin-2-yloxymethyl)morpholine
CID 74228170
1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3559114
3-[4-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]methyl]-N-(2-cyanoethyl)anilino]propanenitrile
CID 74228852
1-[2-fluoro-4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 3771703
2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 3745600
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3694705
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-fluoren-9-ylideneethanone
CID 3790394
4-[(3-methylthiophen-2-yl)methyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]morpholine
CID 74227912
methyl (2S)-2-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 74225686

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone (CID 74225388) is 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone is CC(=O)c1ccc(OCC2CN(Cc3sccc3C)CCO2)cc1C.
What is the InChIKey of 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
The InChIKey is UGBRZYHFJJFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-14-6-9-25-20(14)12-21-7-8-23-18(11-21)13-24-17-4-5-19(16(3)22)15(2)10-17/h4-6,9-10,18H,7-8,11-13H2,1-3H3.
What are the key properties of 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone?
1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone has a molecular weight of 359.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 74225388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).