[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

C22H23N3O6S2 — CID 43051168

IUPAC[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCN(CC(=O)NCc1cccs1)C(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C22H23N3O6S2/c1-3-25(12-17(26)23-11-15-6-5-9-32-15)19(27)13-31-22(29)20-14(2)10-18(33-20)24-21(28)16-7-4-8-30-16/h4-10H,3,11-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyRSTYDSUZXCFQHO-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.29
Rot. Bonds10

About [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate

[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (PubChem CID 43051168) has the molecular formula C22H23N3O6S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
PubChem CID43051168
Molecular FormulaC22H23N3O6S2
Molecular Weight489.58 g/mol
Exact Mass489.10
IUPAC Name[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
SMILESCCN(CC(=O)NCc1cccs1)C(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C
InChIInChI=1S/C22H23N3O6S2/c1-3-25(12-17(26)23-11-15-6-5-9-32-15)19(27)13-31-22(29)20-14(2)10-18(33-20)24-21(28)16-7-4-8-30-16/h4-10H,3,11-13H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyRSTYDSUZXCFQHO-UHFFFAOYSA-N
XLogP3.29
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(prop-2-enylamino)ethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 17404648
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 55521763
[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-phenylthiophene-2-carboxylate
CID 34844560
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 46679594
N-[5-[ethyl(thiophen-2-ylmethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 33032895
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
ethyl 5-(diethylcarbamoyl)-2-(furan-2-carbonylamino)-4-methylthiophene-3-carboxylate
CID 1221585
N-[4-methyl-5-[2-(methylamino)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 119501782
2-[[2-(2-benzylphenoxy)acetyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8960885
N-[5-[2-(ethylamino)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119506646
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
CID 38374216
2-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193298

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate (CID 43051168) is [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)c1sc(NC(=O)c2ccco2)cc1C.
What is the InChIKey of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is RSTYDSUZXCFQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6S2/c1-3-25(12-17(26)23-11-15-6-5-9-32-15)19(27)13-31-22(29)20-14(2)10-18(33-20)24-21(28)16-7-4-8-30-16/h4-10H,3,11-13H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate?
[2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 489.58 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 43051168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).