[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

C18H20N2O4S — CID 7735629

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCC(=O)NC(=O)NC(C)C)cc1
InChIInChI=1S/C18H20N2O4S/c1-11(2)19-18(23)20-15(21)10-24-17(22)16-14(8-9-25-16)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyPQKCIQWNTHCCBL-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.11
Rot. Bonds5

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 7735629) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID7735629
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCC(=O)NC(=O)NC(C)C)cc1
InChIInChI=1S/C18H20N2O4S/c1-11(2)19-18(23)20-15(21)10-24-17(22)16-14(8-9-25-16)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23)
InChIKeyPQKCIQWNTHCCBL-UHFFFAOYSA-N
XLogP3.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923073
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736656
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923167
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923156
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735355
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8922975
[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
CID 61316599
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735360
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735740
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923408
2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 2659377
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735484

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (CID 7735629) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is Cc1ccc(-c2ccsc2C(=O)OCC(=O)NC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is PQKCIQWNTHCCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11(2)19-18(23)20-15(21)10-24-17(22)16-14(8-9-25-16)13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 7735629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).