ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate

C23H26N2O4S2 — CID 93479341

IUPACethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cccs2)c2cc(C)sc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C23H26N2O4S2/c1-3-28-23(27)16-8-10-25(11-9-16)20(19-7-5-13-30-19)17-14-15(2)31-22(17)24-21(26)18-6-4-12-29-18/h4-7,12-14,16,20H,3,8-11H2,1-2H3,(H,24,26)
InChIKeyJLBBKYXAECFMNI-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.33
Rot. Bonds7

About ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate

ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate (PubChem CID 93479341) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate
PubChem CID93479341
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC Nameethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(c2cccs2)c2cc(C)sc2NC(=O)c2ccco2)CC1
InChIInChI=1S/C23H26N2O4S2/c1-3-28-23(27)16-8-10-25(11-9-16)20(19-7-5-13-30-19)17-14-15(2)31-22(17)24-21(26)18-6-4-12-29-18/h4-7,12-14,16,20H,3,8-11H2,1-2H3,(H,24,26)
InChIKeyJLBBKYXAECFMNI-UHFFFAOYSA-N
XLogP5.33
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[(2-chlorophenyl)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]methyl]piperidine-4-carboxylate
CID 46740242
N-[5-methyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479399
ethyl 1-[(R)-[5-ethyl-2-(furan-2-carbonylamino)thiophen-3-yl]-(3-fluorophenyl)methyl]piperidine-4-carboxylate
CID 93479347
ethyl 1-[(S)-[5-ethyl-2-(furan-2-carbonylamino)thiophen-3-yl]-(3-fluorophenyl)methyl]piperidine-4-carboxylate
CID 93479348
N-[3-[(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740268
N-[3-[(S)-(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93479194
N-[5-methyl-3-[(R)-(4-methylphenyl)-piperidin-1-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93478860
N-[5-methyl-3-[piperidin-1-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 46740008
N-[3-[(S)-(2-chlorophenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478845
N-[5-methyl-3-[(S)-(4-methylpiperidin-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479211
N-[3-[[4-(difluoromethoxy)phenyl]-(4-methylpiperidin-1-yl)methyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 46740194
N-[5-ethyl-3-[(S)-(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479250

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate (CID 93479341) is ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(c2cccs2)c2cc(C)sc2NC(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate?
The InChIKey is JLBBKYXAECFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-3-28-23(27)16-8-10-25(11-9-16)20(19-7-5-13-30-19)17-14-15(2)31-22(17)24-21(26)18-6-4-12-29-18/h4-7,12-14,16,20H,3,8-11H2,1-2H3,(H,24,26).
What are the key properties of ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate?
ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate has a molecular weight of 458.61 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(R)-[2-(furan-2-carbonylamino)-5-methylthiophen-3-yl]-thiophen-2-ylmethyl]piperidine-4-carboxylate is sourced from PubChem (CID 93479341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).