[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

C15H24N3O4S+ — CID 8772093

IUPAC[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCCOC(=O)c1c(NC(=O)C[NH2+]CC(=O)NC)sc(CC)c1C
InChIInChI=1S/C15H23N3O4S/c1-5-10-9(3)13(15(21)22-6-2)14(23-10)18-12(20)8-17-7-11(19)16-4/h17H,5-8H2,1-4H3,(H,16,19)(H,18,20)/p+1
InChIKeyHRHMLKMILDWJQD-UHFFFAOYSA-O
MW342.44 g/mol
LogP0.04
Rot. Bonds8

About [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium

[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 8772093) has the molecular formula C15H24N3O4S+ and a molecular weight of 342.44 g/mol. Its IUPAC name is [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID8772093
Molecular FormulaC15H24N3O4S+
Molecular Weight342.44 g/mol
Exact Mass342.15
IUPAC Name[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
SMILESCCOC(=O)c1c(NC(=O)C[NH2+]CC(=O)NC)sc(CC)c1C
InChIInChI=1S/C15H23N3O4S/c1-5-10-9(3)13(15(21)22-6-2)14(23-10)18-12(20)8-17-7-11(19)16-4/h17H,5-8H2,1-4H3,(H,16,19)(H,18,20)/p+1
InChIKeyHRHMLKMILDWJQD-UHFFFAOYSA-O
XLogP0.04
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8771927
ethyl 5-ethyl-4-methyl-2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]thiophene-3-carboxylate
CID 16528471
ethyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 7819597
[2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772591
ethyl 5-ethyl-4-methyl-2-[[2-(thiophene-2-carbonyloxy)acetyl]amino]thiophene-3-carboxylate
CID 8631421
ethyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 7794752
ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 4804978
ethyl 2-[[2-(4,5-dimethoxy-2-methylanilino)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 9105428
ethyl 5-ethyl-4-methyl-2-[(2-naphthalen-1-yloxyacetyl)amino]thiophene-3-carboxylate
CID 7860210
ethyl 5-ethyl-2-[[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]amino]-4-methylthiophene-3-carboxylate
CID 7840496
ethyl 2-[[2-(3-acetylanilino)acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 9099450
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413764

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium (CID 8772093) is [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is CCOC(=O)c1c(NC(=O)C[NH2+]CC(=O)NC)sc(CC)c1C.
What is the InChIKey of [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is HRHMLKMILDWJQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N3O4S/c1-5-10-9(3)13(15(21)22-6-2)14(23-10)18-12(20)8-17-7-11(19)16-4/h17H,5-8H2,1-4H3,(H,16,19)(H,18,20)/p+1.
What are the key properties of [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium?
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 342.44 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8772093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).