5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide

C18H20N4O2S — CID 29023222

IUPAC5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1ccc([C@@H]2CCCN2Cc2ccco2)s1
InChIInChI=1S/C18H20N4O2S/c23-18(21-11-17-19-7-8-20-17)16-6-5-15(25-16)14-4-1-9-22(14)12-13-3-2-10-24-13/h2-3,5-8,10,14H,1,4,9,11-12H2,(H,19,20)(H,21,23)/t14-/m0/s1
InChIKeyMVUZQLYQFMNJET-AWEZNQCLSA-N
MW356.45 g/mol
LogP3.33
Rot. Bonds6

About 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide

5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 29023222) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
PubChem CID29023222
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1ccc([C@@H]2CCCN2Cc2ccco2)s1
InChIInChI=1S/C18H20N4O2S/c23-18(21-11-17-19-7-8-20-17)16-6-5-15(25-16)14-4-1-9-22(14)12-13-3-2-10-24-13/h2-3,5-8,10,14H,1,4,9,11-12H2,(H,19,20)(H,21,23)/t14-/m0/s1
InChIKeyMVUZQLYQFMNJET-AWEZNQCLSA-N
XLogP3.33
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
N-(2,3-dihydro-1H-inden-2-yl)-5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31104740
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 45193553
N-(furan-2-ylmethyl)-5-[(2R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 29184528
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
CID 29027435
5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45183586
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
5-[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]-N-[2-(methylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 45224902
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide (CID 29023222) is 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ncc[nH]1)c1ccc([C@@H]2CCCN2Cc2ccco2)s1.
What is the InChIKey of 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is MVUZQLYQFMNJET-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-18(21-11-17-19-7-8-20-17)16-6-5-15(25-16)14-4-1-9-22(14)12-13-3-2-10-24-13/h2-3,5-8,10,14H,1,4,9,11-12H2,(H,19,20)(H,21,23)/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide?
5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 29023222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).