[1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate

C24H24N2O6S — CID 3652095

IUPAC[1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)OC(=O)c1cccnc1OCC
InChIInChI=1S/C24H24N2O6S/c1-4-30-21-17(12-9-13-25-21)24(29)32-15(3)20(27)26-22-18(23(28)31-5-2)14-19(33-22)16-10-7-6-8-11-16/h6-15H,4-5H2,1-3H3,(H,26,27)
InChIKeySFTAVPYHOSEBPK-UHFFFAOYSA-N
MW468.53 g/mol
LogP4.57
Rot. Bonds9

About [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate

[1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate (PubChem CID 3652095) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
PubChem CID3652095
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name[1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)OC(=O)c1cccnc1OCC
InChIInChI=1S/C24H24N2O6S/c1-4-30-21-17(12-9-13-25-21)24(29)32-15(3)20(27)26-22-18(23(28)31-5-2)14-19(33-22)16-10-7-6-8-11-16/h6-15H,4-5H2,1-3H3,(H,26,27)
InChIKeySFTAVPYHOSEBPK-UHFFFAOYSA-N
XLogP4.57
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate with MolForge

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Related Compounds

[2-[(4-Methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359496
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2364069
2-((Phenoxyacetyl)amino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2181154
(2-Oxo-2-thiophen-2-ylethyl) 2-ethoxypyridine-3-carboxylate
CID 2336418
[2-[4-(6-Methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2405941
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2575709
1-{[3-(Ethoxycarbonyl)-5-phenylthiophen-2-yl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate
CID 4026000
4-(3-acetylphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49790948
4-O-ethyl 2-O-methyl 3-methyl-5-[(2-pyridin-2-yloxyacetyl)amino]thiophene-2,4-dicarboxylate
CID 164627268
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2546738
[2-[[5-(Diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 4843512
4-oxo-N-{3-[(pyridin-3-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-4H-chromene-2-carboxamide
CID 4895118

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate (CID 3652095) is [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(C)OC(=O)c1cccnc1OCC.
What is the InChIKey of [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is SFTAVPYHOSEBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-4-30-21-17(12-9-13-25-21)24(29)32-15(3)20(27)26-22-18(23(28)31-5-2)14-19(33-22)16-10-7-6-8-11-16/h6-15H,4-5H2,1-3H3,(H,26,27).
What are the key properties of [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate?
[1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 468.53 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 3652095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).