[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

C19H22N2O4S — CID 8923073

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H22N2O4S/c1-12-5-7-13(8-6-12)14-9-10-26-16(14)17(23)25-11-15(22)20-18(24)21-19(2,3)4/h5-10H,11H2,1-4H3,(H2,20,21,22,24)
InChIKeyVEYXXDZTMLFDOG-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.50
Rot. Bonds4

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (PubChem CID 8923073) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
PubChem CID8923073
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
SMILESCc1ccc(-c2ccsc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H22N2O4S/c1-12-5-7-13(8-6-12)14-9-10-26-16(14)17(23)25-11-15(22)20-18(24)21-19(2,3)4/h5-10H,11H2,1-4H3,(H2,20,21,22,24)
InChIKeyVEYXXDZTMLFDOG-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735629
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735355
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8998513
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 51256105
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8922975
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837726
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735484
[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-fluoro-5-nitroanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735431
[2-(3-cyanoanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735360
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139479

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate (CID 8923073) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is Cc1ccc(-c2ccsc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
The InChIKey is VEYXXDZTMLFDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-5-7-13(8-6-12)14-9-10-26-16(14)17(23)25-11-15(22)20-18(24)21-19(2,3)4/h5-10H,11H2,1-4H3,(H2,20,21,22,24).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate has a molecular weight of 374.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 8923073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).