[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C23H29N3O7S — CID 4843512

IUPAC[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2OCC)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C23H29N3O7S/c1-6-26(7-2)21(28)18-14(5)17(23(30)32-9-4)20(34-18)25-16(27)13-33-22(29)15-11-10-12-24-19(15)31-8-3/h10-12H,6-9,13H2,1-5H3,(H,25,27)
InChIKeyKSUNKCYNJPGBMP-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.30
Rot. Bonds11

About [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 4843512) has the molecular formula C23H29N3O7S and a molecular weight of 491.57 g/mol. Its IUPAC name is [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID4843512
Molecular FormulaC23H29N3O7S
Molecular Weight491.57 g/mol
Exact Mass491.17
IUPAC Name[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2OCC)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C23H29N3O7S/c1-6-26(7-2)21(28)18-14(5)17(23(30)32-9-4)20(34-18)25-16(27)13-33-22(29)15-11-10-12-24-19(15)31-8-3/h10-12H,6-9,13H2,1-5H3,(H,25,27)
InChIKeyKSUNKCYNJPGBMP-UHFFFAOYSA-N
XLogP3.30
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate with MolForge

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2364069
Methyl 5-[(diethylamino)carbonyl]-2-(isonicotinoylamino)-4-methyl-3-thiophenecarboxylate
CID 1293939
Methyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313057
N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-ethoxypyridine-3-carboxamide
CID 2079602
(2-Oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate
CID 2336418
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2575709
Ethyl 2-[(1-{[(furan-2-YL)methyl]carbamoyl}propyl)sulfanyl]pyridine-3-carboxylate
CID 3430352
[2-[(1,1-Dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 4779735
4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate
CID 164627268
[2-(Cyclohexylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2343997
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2546738

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 4843512) is [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2cccnc2OCC)sc(C(=O)N(CC)CC)c1C.
What is the InChIKey of [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is KSUNKCYNJPGBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S/c1-6-26(7-2)21(28)18-14(5)17(23(30)32-9-4)20(34-18)25-16(27)13-33-22(29)15-11-10-12-24-19(15)31-8-3/h10-12H,6-9,13H2,1-5H3,(H,25,27).
What are the key properties of [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 491.57 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 4843512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).