ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

C23H29N3O5S2 — CID 3211229

IUPACethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C23H29N3O5S2/c1-2-31-20(28)15-26(19(27)14-24-22(29)18-11-7-13-33-18)21(17-10-6-12-32-17)23(30)25-16-8-4-3-5-9-16/h6-7,10-13,16,21H,2-5,8-9,14-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyJQGGJWOZKVGIAX-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.12
Rot. Bonds10

About ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate

ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3211229) has the molecular formula C23H29N3O5S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
PubChem CID3211229
Molecular FormulaC23H29N3O5S2
Molecular Weight491.64 g/mol
Exact Mass491.15
IUPAC Nameethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C23H29N3O5S2/c1-2-31-20(28)15-26(19(27)14-24-22(29)18-11-7-13-33-18)21(17-10-6-12-32-17)23(30)25-16-8-4-3-5-9-16/h6-7,10-13,16,21H,2-5,8-9,14-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyJQGGJWOZKVGIAX-UHFFFAOYSA-N
XLogP3.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate with MolForge

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Related Compounds

5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2-methoxy-ethyl)-carbamoyl]-methyl}-amide
CID 649267
5-Methyl-thiophene-2-carboxylic acid cyclopentylcarbamoylmethyl-thiophen-2-ylmethyl-amide
CID 649773
ethyl 4-[(2Z)-3-(2-thienyl)-2-(2-thienylcarbonylamino)prop-2-enoyl]piperazinec arboxylate
CID 1724437
N-[1-(Morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]thiophene-2-carboxamide
CID 3237806
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4283704
Ethyl 4-{3-(2-thienyl)-2-[(2-thienylcarbonyl)amino]acryloyl}-1-piperazinecarboxylate
CID 5347324
N1-(4-methylbenzyl)-N2-((3-(thiophene-2-carbonyl)oxazolidin-2-yl)methyl)oxalamide
CID 12005921
N1-benzyl-N2-((3-(thiophene-2-carbonyl)oxazolidin-2-yl)methyl)oxalamide
CID 12005964
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 16196057
ethyl (1R,5S)-3-[2-(thiophene-2-carbonylamino)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70685587

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate (CID 3211229) is ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is JQGGJWOZKVGIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S2/c1-2-31-20(28)15-26(19(27)14-24-22(29)18-11-7-13-33-18)21(17-10-6-12-32-17)23(30)25-16-8-4-3-5-9-16/h6-7,10-13,16,21H,2-5,8-9,14-15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate?
ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 491.64 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3211229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).