2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

C16H20N2O3S — CID 71920200

IUPAC2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCCC1CC(O)c1ccco1
InChIInChI=1S/C16H20N2O3S/c19-14(15-4-2-7-21-15)9-13-3-1-6-18(13)16(20)17-10-12-5-8-22-11-12/h2,4-5,7-8,11,13-14,19H,1,3,6,9-10H2,(H,17,20)
InChIKeyUXYWUWOZARSOAI-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.14
Rot. Bonds5

About 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71920200) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71920200
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccsc1)N1CCCC1CC(O)c1ccco1
InChIInChI=1S/C16H20N2O3S/c19-14(15-4-2-7-21-15)9-13-3-1-6-18(13)16(20)17-10-12-5-8-22-11-12/h2,4-5,7-8,11,13-14,19H,1,3,6,9-10H2,(H,17,20)
InChIKeyUXYWUWOZARSOAI-UHFFFAOYSA-N
XLogP3.14
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95909147
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97320650
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 71920253
(2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124591598
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
2-(2-hydroxy-2-phenylethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 111476043
4-[[[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020978
(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 96996602

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (CID 71920200) is 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccsc1)N1CCCC1CC(O)c1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is UXYWUWOZARSOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-14(15-4-2-7-21-15)9-13-3-1-6-18(13)16(20)17-10-12-5-8-22-11-12/h2,4-5,7-8,11,13-14,19H,1,3,6,9-10H2,(H,17,20).
What are the key properties of 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-hydroxyethyl]-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71920200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).