(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

C17H22N2O3S — CID 94030226

IUPAC(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C17H22N2O3S/c20-17(18-7-3-9-21-12-15-4-2-10-22-15)19-8-1-5-16(19)14-6-11-23-13-14/h2,4,6,10-11,13,16H,1,3,5,7-9,12H2,(H,18,20)/t16-/m1/s1
InChIKeyVWKMTMMTPADHCO-MRXNPFEDSA-N
MW334.44 g/mol
LogP3.79
Rot. Bonds7

About (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 94030226) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID94030226
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCCOCc1ccco1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C17H22N2O3S/c20-17(18-7-3-9-21-12-15-4-2-10-22-15)19-8-1-5-16(19)14-6-11-23-13-14/h2,4,6,10-11,13,16H,1,3,5,7-9,12H2,(H,18,20)/t16-/m1/s1
InChIKeyVWKMTMMTPADHCO-MRXNPFEDSA-N
XLogP3.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94041255
3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2R)-N-(3-pyrazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030715
N-[3-(furan-2-ylmethoxy)propyl]-2,3-dimethylmorpholine-4-carboxamide
CID 71916012
3-ethoxy-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 86843944
(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
CID 51551008
(2R)-2-thiophen-3-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 94057824
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94053971
4-(azepan-1-ylmethyl)-N-[3-(furan-2-ylmethoxy)propyl]piperidine-1-carboxamide
CID 55794043
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94103812
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 95588049

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 94030226) is (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is O=C(NCCCOCc1ccco1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is VWKMTMMTPADHCO-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-17(18-7-3-9-21-12-15-4-2-10-22-15)19-8-1-5-16(19)14-6-11-23-13-14/h2,4,6,10-11,13,16H,1,3,5,7-9,12H2,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94030226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).