(3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide

C18H22N2O3S — CID 99830067

IUPAC(3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCOCCO[C@@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1
InChIInChI=1S/C18H22N2O3S/c1-22-9-10-23-16-7-8-20(13-16)18(21)19-15-5-2-4-14(12-15)17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyRQUGPQLQIRQYCL-MRXNPFEDSA-N
MW346.45 g/mol
LogP3.68
Rot. Bonds6

About (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide

(3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide (PubChem CID 99830067) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
PubChem CID99830067
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide
SMILESCOCCO[C@@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1
InChIInChI=1S/C18H22N2O3S/c1-22-9-10-23-16-7-8-20(13-16)18(21)19-15-5-2-4-14(12-15)17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyRQUGPQLQIRQYCL-MRXNPFEDSA-N
XLogP3.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide (CID 99830067) is (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide is COCCO[C@@H]1CCN(C(=O)Nc2cccc(-c3cccs3)c2)C1.
What is the InChIKey of (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is RQUGPQLQIRQYCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-9-10-23-16-7-8-20(13-16)18(21)19-15-5-2-4-14(12-15)17-6-3-11-24-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide?
(3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyethoxy)-N-(3-thiophen-2-ylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99830067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).