1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone

C21H25NO5S — CID 3559114

IUPAC1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
SMILESCCOc1ccsc1C(=O)N1CCOC(COc2ccc(C(C)=O)c(C)c2)C1
InChIInChI=1S/C21H25NO5S/c1-4-25-19-7-10-28-20(19)21(24)22-8-9-26-17(12-22)13-27-16-5-6-18(15(3)23)14(2)11-16/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3
InChIKeyULBCDHULEYISLZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.58
Rot. Bonds7

About 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone

1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone (PubChem CID 3559114) has the molecular formula C21H25NO5S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
PubChem CID3559114
Molecular FormulaC21H25NO5S
Molecular Weight403.50 g/mol
Exact Mass403.15
IUPAC Name1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
SMILESCCOc1ccsc1C(=O)N1CCOC(COc2ccc(C(C)=O)c(C)c2)C1
InChIInChI=1S/C21H25NO5S/c1-4-25-19-7-10-28-20(19)21(24)22-8-9-26-17(12-22)13-27-16-5-6-18(15(3)23)14(2)11-16/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3
InChIKeyULBCDHULEYISLZ-UHFFFAOYSA-N
XLogP3.58
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone with MolForge

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Related Compounds

1-[2-methyl-4-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74225388
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
1-[4-[[4-(1H-indole-3-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3840261
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
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3854939
1-[2-fluoro-4-[[4-(3-methylfuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3518371
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
1-[2-[(4-acetyl-3-methylphenoxy)methyl]morpholin-4-yl]-2-(2-phenoxyethylsulfanyl)ethanone
CID 3740231
methyl (2S)-2-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 74225686
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
1-[4-[[4-[(5-bromofuran-2-yl)methyl]morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 74224273

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
The IUPAC name of 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone (CID 3559114) is 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone is CCOc1ccsc1C(=O)N1CCOC(COc2ccc(C(C)=O)c(C)c2)C1.
What is the InChIKey of 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
The InChIKey is ULBCDHULEYISLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5S/c1-4-25-19-7-10-28-20(19)21(24)22-8-9-26-17(12-22)13-27-16-5-6-18(15(3)23)14(2)11-16/h5-7,10-11,17H,4,8-9,12-13H2,1-3H3.
What are the key properties of 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone?
1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone has a molecular weight of 403.50 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(3-ethoxythiophene-2-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone is sourced from PubChem (CID 3559114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).