[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

C16H24N2O4S — CID 16512861

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OC(C)C(=O)NC(=O)NCC)cc1CC
InChIInChI=1S/C16H24N2O4S/c1-5-8-12-11(6-2)9-13(23-12)15(20)22-10(4)14(19)18-16(21)17-7-3/h9-10H,5-8H2,1-4H3,(H2,17,18,19,21)
InChIKeyVAKIQYGBOHQQQX-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.65
Rot. Bonds7

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 16512861) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID16512861
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OC(C)C(=O)NC(=O)NCC)cc1CC
InChIInChI=1S/C16H24N2O4S/c1-5-8-12-11(6-2)9-13(23-12)15(20)22-10(4)14(19)18-16(21)17-7-3/h9-10H,5-8H2,1-4H3,(H2,17,18,19,21)
InChIKeyVAKIQYGBOHQQQX-UHFFFAOYSA-N
XLogP2.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2367113
[2-(Ethylcarbamoylamino)-2-oxoethyl] 2-[2-(ethylcarbamoylamino)-2-oxoethyl]sulfanylbenzoate
CID 2999311
[1-(carbamoylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 4876569
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 4883633
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 15945194
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 24687643
[2-(Methylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2078035
Thiophene-2-carboxylic acid (2-methoxy-ethylcarbamoyl)-phenyl-methyl ester
CID 654711
[2-(Carbamoylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 3876216
[2-Oxo-2-(2-phenylethylamino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516840
[2-[(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 24978843

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (CID 16512861) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OC(C)C(=O)NC(=O)NCC)cc1CC.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is VAKIQYGBOHQQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-5-8-12-11(6-2)9-13(23-12)15(20)22-10(4)14(19)18-16(21)17-7-3/h9-10H,5-8H2,1-4H3,(H2,17,18,19,21).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 16512861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).