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

C20H24N4O2S — CID 45243481

IUPAC5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
SMILESCCn1cncc1CN1CCCC1c1ccc(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)
InChIKeyVCHCDOVHKUBYSS-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.82
Rot. Bonds7

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

5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 45243481) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
PubChem CID45243481
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide
SMILESCCn1cncc1CN1CCCC1c1ccc(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)
InChIKeyVCHCDOVHKUBYSS-UHFFFAOYSA-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

2-(3-furyl)-3-[1-(3-thienylcarbonyl)pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridine
CID 53186846
[3-[2-(Furan-3-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 53186851
2-(3-furyl)-3-[1-(3-thienylacetyl)pyrrolidin-3-yl]-3H-imidazo[4,5-b]pyridine
CID 53186852
5-[1-(3-furylmethyl)-2-pyrrolidinyl]-N-[2-(2-pyrazinyl)ethyl]-2-thiophenecarboxamide
CID 45206718
1-(furan-2-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 54189058
5-(1-aminoethenylamino)-4-(furan-2-carboximidoyl)-N-(thiophen-2-ylmethyl)imidazole-1-carboxamide
CID 136456797
1-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141036720
N-(furan-3-ylmethyl)propan-2-amine;N-(1H-imidazol-5-ylmethyl)propan-2-amine;N-(1H-pyrrol-2-ylmethyl)propan-2-amine;N-(1H-pyrrol-3-ylmethyl)propan-2-amine;N-(thiophen-2-ylmethyl)propan-2-amine;N-(thiophen-3-ylmethyl)propan-2-amine
CID 158867981
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 4894774
(E)-1-(3-(1H-imidazol-1-yl)propyl)-4-(3-(furan-2-yl)acryloyl)-3-hydroxy-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
CID 6225771
(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 8029036
(2S)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 8029037

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide (CID 45243481) is 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide is CCn1cncc1CN1CCCC1c1ccc(C(=O)NCc2ccoc2)s1.
What is the InChIKey of 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
The InChIKey is VCHCDOVHKUBYSS-UHFFFAOYSA-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).
What are the key properties of 5-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide?
5-[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-[1-[(3-ethylimidazol-4-yl)methyl]pyrrolidin-2-yl]-N-(furan-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 45243481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).