2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide

C22H28N2O6S — CID 3783712

IUPAC2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
SMILESCOc1ccc(C(C)=O)c(OCC2CN(C(=O)NCCc3cccs3)CCO2)c1OC
InChIInChI=1S/C22H28N2O6S/c1-15(25)18-6-7-19(27-2)21(28-3)20(18)30-14-16-13-24(10-11-29-16)22(26)23-9-8-17-5-4-12-31-17/h4-7,12,16H,8-11,13-14H2,1-3H3,(H,23,26)
InChIKeyIOFHHDURYUBBLO-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.00
Rot. Bonds9

About 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide

2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide (PubChem CID 3783712) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
PubChem CID3783712
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
SMILESCOc1ccc(C(C)=O)c(OCC2CN(C(=O)NCCc3cccs3)CCO2)c1OC
InChIInChI=1S/C22H28N2O6S/c1-15(25)18-6-7-19(27-2)21(28-3)20(18)30-14-16-13-24(10-11-29-16)22(26)23-9-8-17-5-4-12-31-17/h4-7,12,16H,8-11,13-14H2,1-3H3,(H,23,26)
InChIKeyIOFHHDURYUBBLO-UHFFFAOYSA-N
XLogP3.00
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide with MolForge

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Related Compounds

2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5009855
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-methylpent-2-en-1-one
CID 4685886
methyl (2S)-2-[[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate
CID 74226792
2-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5103891
1-[3,4-dimethoxy-2-[[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]ethanone
CID 74224424
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(3-bromo-4-methoxyphenyl)ethanone
CID 3697779
(Z)-N-[2-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 74227353
1-[2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]morpholin-4-yl]-2-(5-chloro-1-benzothiophen-3-yl)ethanone
CID 3778258
1-[3,4-dimethoxy-2-[[4-(3-phenylcinnoline-4-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 6413219
1-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 46100107
[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 75448638
(2S)-N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylmorpholine-4-carboxamide
CID 97068224

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The IUPAC name of 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide (CID 3783712) is 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide is COc1ccc(C(C)=O)c(OCC2CN(C(=O)NCCc3cccs3)CCO2)c1OC.
What is the InChIKey of 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
The InChIKey is IOFHHDURYUBBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-15(25)18-6-7-19(27-2)21(28-3)20(18)30-14-16-13-24(10-11-29-16)22(26)23-9-8-17-5-4-12-31-17/h4-7,12,16H,8-11,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide?
2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetyl-2,3-dimethoxyphenoxy)methyl]-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 3783712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).