[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate

C16H16N2O5S — CID 4781237

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate
SMILESCC(Oc1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H16N2O5S/c1-10(23-11-5-3-2-4-6-11)16(21)22-9-13(19)18-15-12(14(17)20)7-8-24-15/h2-8,10H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYPWSDYAFTGRIML-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.80
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate (PubChem CID 4781237) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate
PubChem CID4781237
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate
SMILESCC(Oc1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H16N2O5S/c1-10(23-11-5-3-2-4-6-11)16(21)22-9-13(19)18-15-12(14(17)20)7-8-24-15/h2-8,10H,9H2,1H3,(H2,17,20)(H,18,19)
InChIKeyYPWSDYAFTGRIML-UHFFFAOYSA-N
XLogP1.80
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate with MolForge

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Related Compounds

[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2603958
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
Ethyl 5-acetyl-4-methyl-2-(2-phenoxyacetamido)thiophene-3-carboxylate
CID 1105822
2-[4-(2-Ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide
CID 2093480
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 2527268
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
Ethyl 5-acetyl-2-{[2-(2-fluorophenoxy)propanoyl]amino}-4-methylthiophene-3-carboxylate
CID 4414022
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4847147
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 4969304
Methyl 5'-[2-(4-propylphenoxy)acetamido]-[2,3'-bithiophene]-4'-carboxylate
CID 16015227

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate (CID 4781237) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate is CC(Oc1ccccc1)C(=O)OCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate?
The InChIKey is YPWSDYAFTGRIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-10(23-11-5-3-2-4-6-11)16(21)22-9-13(19)18-15-12(14(17)20)7-8-24-15/h2-8,10H,9H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate has a molecular weight of 348.38 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate is sourced from PubChem (CID 4781237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).