ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate

C19H25NO3S — CID 68904069

IUPACethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C12CC3CC(CC1C3)C2
InChIInChI=1S/C19H25NO3S/c1-3-14-8-15(17(21)23-4-2)16(24-14)20-18(22)19-9-11-5-12(10-19)7-13(19)6-11/h8,11-13H,3-7,9-10H2,1-2H3,(H,20,22)
InChIKeyNSOAVEUSHIWQNP-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.25
Rot. Bonds5

About ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate

ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate (PubChem CID 68904069) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate
PubChem CID68904069
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Nameethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)C12CC3CC(CC1C3)C2
InChIInChI=1S/C19H25NO3S/c1-3-14-8-15(17(21)23-4-2)16(24-14)20-18(22)19-9-11-5-12(10-19)7-13(19)6-11/h8,11-13H,3-7,9-10H2,1-2H3,(H,20,22)
InChIKeyNSOAVEUSHIWQNP-UHFFFAOYSA-N
XLogP4.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-ethyl-2-(pyrrolidine-3-carbonylamino)thiophene-3-carboxylate
CID 63005194
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-ethyl-2-(ethylcarbamoylamino)thiophene-3-carboxylate
CID 43404906
ethyl 2-[(2-amino-2-ethylbutanoyl)amino]-5-ethylthiophene-3-carboxylate
CID 79812984
ethyl 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 68905944
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 2-[(2-cyclopentylacetyl)amino]-5-ethylthiophene-3-carboxylate
CID 60629911
ethyl 5-ethyl-2-(2-ethylbutanoylamino)thiophene-3-carboxylate
CID 43404037
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835
(1R,2S,3S,4S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51706337
(2R,3S)-3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27520804
ethyl 2-[(2-aminocyclopentanecarbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 64822095

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate (CID 68904069) is ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)C12CC3CC(CC1C3)C2.
What is the InChIKey of ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate?
The InChIKey is NSOAVEUSHIWQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-3-14-8-15(17(21)23-4-2)16(24-14)20-18(22)19-9-11-5-12(10-19)7-13(19)6-11/h8,11-13H,3-7,9-10H2,1-2H3,(H,20,22).
What are the key properties of ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate?
ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate has a molecular weight of 347.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 68904069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).