[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

C17H19NO7S2 — CID 7836941

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C17H19NO7S2/c1-23-12-5-6-13(15(10-12)24-2)14(19)11-25-16(20)7-8-18-27(21,22)17-4-3-9-26-17/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyOFZNZENLIOBAEX-UHFFFAOYSA-N
MW413.47 g/mol
LogP1.86
Rot. Bonds10

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 7836941) has the molecular formula C17H19NO7S2 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID7836941
Molecular FormulaC17H19NO7S2
Molecular Weight413.47 g/mol
Exact Mass413.06
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCOc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C17H19NO7S2/c1-23-12-5-6-13(15(10-12)24-2)14(19)11-25-16(20)7-8-18-27(21,22)17-4-3-9-26-17/h3-6,9-10,18H,7-8,11H2,1-2H3
InChIKeyOFZNZENLIOBAEX-UHFFFAOYSA-N
XLogP1.86
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 4316218
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836920
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
[2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 2468453
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836966
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856465
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2502361

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate (CID 7836941) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is COc1ccc(C(=O)COC(=O)CCNS(=O)(=O)c2cccs2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is OFZNZENLIOBAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO7S2/c1-23-12-5-6-13(15(10-12)24-2)14(19)11-25-16(20)7-8-18-27(21,22)17-4-3-9-26-17/h3-6,9-10,18H,7-8,11H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 413.47 g/mol, XLogP of 1.86, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 7836941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).