[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

C18H19NO6S — CID 2105289

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C)s2)c(OC)c1
InChIInChI=1S/C18H19NO6S/c1-11-4-7-16(26-11)18(22)19-9-17(21)25-10-14(20)13-6-5-12(23-2)8-15(13)24-3/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyLMBXEEOEUCSZSW-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.23
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (PubChem CID 2105289) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
PubChem CID2105289
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C)s2)c(OC)c1
InChIInChI=1S/C18H19NO6S/c1-11-4-7-16(26-11)18(22)19-9-17(21)25-10-14(20)13-6-5-12(23-2)8-15(13)24-3/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyLMBXEEOEUCSZSW-UHFFFAOYSA-N
XLogP2.23
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2363992
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,3,4-trimethoxybenzoate
CID 2364065
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2364828
[2-[5-(Acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 4-methoxybenzoate
CID 8431942
[2-[Methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 2473672
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 2574630
(E)-4-(2-hydroxy-4-methoxyphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxo-N-(thiophen-2-ylmethyl)but-2-enamide
CID 5770958
(E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)but-2-enamide
CID 5770968
2-[[2-(4-acetylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8225066
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2374507
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(2-methylpropoxy)benzoate
CID 2409587
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612480

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate (CID 2105289) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is COc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(C)s2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
The InChIKey is LMBXEEOEUCSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-11-4-7-16(26-11)18(22)19-9-17(21)25-10-14(20)13-6-5-12(23-2)8-15(13)24-3/h4-8H,9-10H2,1-3H3,(H,19,22).
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate has a molecular weight of 377.42 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 2105289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).