(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

C20H22N2O3S — CID 39992942

IUPAC(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C20H22N2O3S/c1-3-10-21(14-18-5-4-11-26-18)20(24)15-12-19(23)22(13-15)16-6-8-17(25-2)9-7-16/h3-9,11,15H,1,10,12-14H2,2H3/t15-/m1/s1
InChIKeyOZEHKPBSMBLWTG-OAHLLOKOSA-N
MW370.47 g/mol
LogP3.32
Rot. Bonds7

About (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 39992942) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID39992942
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESC=CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C20H22N2O3S/c1-3-10-21(14-18-5-4-11-26-18)20(24)15-12-19(23)22(13-15)16-6-8-17(25-2)9-7-16/h3-9,11,15H,1,10,12-14H2,2H3/t15-/m1/s1
InChIKeyOZEHKPBSMBLWTG-OAHLLOKOSA-N
XLogP3.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46450259
1-(1,3-benzodioxol-5-yl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55581266
1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55556697
N-(furan-2-ylmethyl)-1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 134059206
N-benzyl-1-(3,4-dimethoxyphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 55600017
(3R)-1-(4-acetamidophenyl)-5-oxo-N,N-bis(prop-2-enyl)pyrrolidine-3-carboxamide
CID 42560602
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 71781358
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
6-methoxy-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 134003031
N-cyclopropyl-5-oxo-N-(thiophen-2-ylmethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42953424
(3S)-1-cyclopentyl-N-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 9119491

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide (CID 39992942) is (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is C=CCN(Cc1cccs1)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is OZEHKPBSMBLWTG-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-10-21(14-18-5-4-11-26-18)20(24)15-12-19(23)22(13-15)16-6-8-17(25-2)9-7-16/h3-9,11,15H,1,10,12-14H2,2H3/t15-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-5-oxo-N-prop-2-enyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 39992942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).