(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide

C16H18N2O2S — CID 126855424

IUPAC(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C16H18N2O2S/c19-16(4-3-15-2-1-8-20-15)17-14-5-7-18(11-14)10-13-6-9-21-12-13/h1-4,6,8-9,12,14H,5,7,10-11H2,(H,17,19)/b4-3+
InChIKeyATBPJKKRIVLJGQ-ONEGZZNKSA-N
MW302.40 g/mol
LogP2.74
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 126855424) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID126855424
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1CCN(Cc2ccsc2)C1
InChIInChI=1S/C16H18N2O2S/c19-16(4-3-15-2-1-8-20-15)17-14-5-7-18(11-14)10-13-6-9-21-12-13/h1-4,6,8-9,12,14H,5,7,10-11H2,(H,17,19)/b4-3+
InChIKeyATBPJKKRIVLJGQ-ONEGZZNKSA-N
XLogP2.74
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide
CID 171137288
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
4-oxo-4-phenyl-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]butanamide
CID 126851463
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 134161550
(E)-3-(furan-2-yl)-N-(3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-enamide
CID 75473558
N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 126855428
N-[[(1R,3aR,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]furan-2-carboxamide
CID 124780598
N-[[(3R,3aS,7aR)-5-(thiophen-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]furan-2-carboxamide
CID 125244694
N-[[(3R)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 25450902
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71961623

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide (CID 126855424) is (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide is O=C(/C=C/c1ccco1)NC1CCN(Cc2ccsc2)C1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is ATBPJKKRIVLJGQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(4-3-15-2-1-8-20-15)17-14-5-7-18(11-14)10-13-6-9-21-12-13/h1-4,6,8-9,12,14H,5,7,10-11H2,(H,17,19)/b4-3+.
What are the key properties of (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 302.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 126855424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).