[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

C19H22N2O6S — CID 7798734

IUPAC[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)Cc2cccs2)cc1OCC
InChIInChI=1S/C19H22N2O6S/c1-3-25-15-8-7-13(10-16(15)26-4-2)20-19(24)21-17(22)12-27-18(23)11-14-6-5-9-28-14/h5-10H,3-4,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyFOBSUVSYHDRJLU-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.98
Rot. Bonds9

About [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate

[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (PubChem CID 7798734) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
PubChem CID7798734
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)Cc2cccs2)cc1OCC
InChIInChI=1S/C19H22N2O6S/c1-3-25-15-8-7-13(10-16(15)26-4-2)20-19(24)21-17(22)12-27-18(23)11-14-6-5-9-28-14/h5-10H,3-4,11-12H2,1-2H3,(H2,20,21,22,24)
InChIKeyFOBSUVSYHDRJLU-UHFFFAOYSA-N
XLogP2.98
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate
CID 7813816
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821118
[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
CID 7851101
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799163
[2-(4-ethylanilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7799264
ethyl 4-[[2-(2-thiophen-2-ylacetyl)oxyacetyl]amino]benzoate
CID 7799286
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414037
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705523
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8672049
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8709525
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823029

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate (CID 7798734) is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate is CCOc1ccc(NC(=O)NC(=O)COC(=O)Cc2cccs2)cc1OCC.
What is the InChIKey of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
The InChIKey is FOBSUVSYHDRJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-3-25-15-8-7-13(10-16(15)26-4-2)20-19(24)21-17(22)12-27-18(23)11-14-6-5-9-28-14/h5-10H,3-4,11-12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate?
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate has a molecular weight of 406.46 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 7798734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).