[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

C14H20N2O4S — CID 18197386

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C14H20N2O4S/c1-8-6-10(9(2)21-8)12(18)20-7-11(17)15-13(19)16-14(3,4)5/h6H,7H2,1-5H3,(H2,15,16,17,19)
InChIKeyFFVWPJBMJNVOAK-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.15
Rot. Bonds3

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (PubChem CID 18197386) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
PubChem CID18197386
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)s1
InChIInChI=1S/C14H20N2O4S/c1-8-6-10(9(2)21-8)12(18)20-7-11(17)15-13(19)16-14(3,4)5/h6H,7H2,1-5H3,(H2,15,16,17,19)
InChIKeyFFVWPJBMJNVOAK-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648583
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2511316
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 18197384
[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
CID 2108654
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878593
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8644747
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4036905
[2-(4-acetylanilino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648305
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42446972
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923073
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2417901
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2488868

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate (CID 18197386) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate is Cc1cc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)s1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
The InChIKey is FFVWPJBMJNVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-8-6-10(9(2)21-8)12(18)20-7-11(17)15-13(19)16-14(3,4)5/h6H,7H2,1-5H3,(H2,15,16,17,19).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 2.15, 3 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] 2,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 18197386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).