5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide

C20H24N4O2S — CID 29027435

IUPAC5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
SMILESCCn1cncc1CN1CCC[C@@H]1c1ccc(C(=O)NCc2ccoc2)s1
InChIInChI=1S/C20H24N4O2S/c1-2-23-14-21-11-16(23)12-24-8-3-4-17(24)18-5-6-19(27-18)20(25)22-10-15-7-9-26-13-15/h5-7,9,11,13-14,17H,2-4,8,10,12H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyVCHCDOVHKUBYSS-QGZVFWFLSA-N
MW384.51 g/mol
LogP3.82
Rot. Bonds7

About 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide

5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 29027435) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
PubChem CID29027435
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
SMILESCCn1cncc1CN1CCC[C@@H]1c1ccc(C(=O)NCc2ccoc2)s1
InChIInChI=1S/C20H24N4O2S/c1-2-23-14-21-11-16(23)12-24-8-3-4-17(24)18-5-6-19(27-18)20(25)22-10-15-7-9-26-13-15/h5-7,9,11,13-14,17H,2-4,8,10,12H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyVCHCDOVHKUBYSS-QGZVFWFLSA-N
XLogP3.82
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184
5-[1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyrazin-2-ylethyl)thiophene-2-carboxamide
CID 45206718
5-[(2R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 28882648
5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
CID 29023222
N-[2-(1H-imidazol-5-yl)ethyl]-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 28698360
5-[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 45192185
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 45193553
[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 66154354
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79537003
1-[(3-ethylimidazol-4-yl)methyl]azepane-2-carboxylic acid
CID 66132706
5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-N-[3-(2H-tetrazol-5-yl)propyl]thiophene-2-carboxamide
CID 45227389
5-(1-propylpyrrolidin-2-yl)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]thiophene-2-carboxamide
CID 45199086

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide (CID 29027435) is 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide is CCn1cncc1CN1CCC[C@@H]1c1ccc(C(=O)NCc2ccoc2)s1.
What is the InChIKey of 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VCHCDOVHKUBYSS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-2-23-14-21-11-16(23)12-24-8-3-4-17(24)18-5-6-19(27-18)20(25)22-10-15-7-9-26-13-15/h5-7,9,11,13-14,17H,2-4,8,10,12H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 29027435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).