(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

C21H24N2O3S — CID 92569685

IUPAC(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C21H24N2O3S/c22-20(25)21(8-9-23(14-21)19(24)17-6-2-10-26-17)13-15-4-1-5-16(12-15)18-7-3-11-27-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2,(H2,22,25)/t17-,21+/m1/s1
InChIKeyKPRJGWZSIKHRLY-UTKZUKDTSA-N
MW384.50 g/mol
LogP2.84
Rot. Bonds5

About (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92569685) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92569685
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C21H24N2O3S/c22-20(25)21(8-9-23(14-21)19(24)17-6-2-10-26-17)13-15-4-1-5-16(12-15)18-7-3-11-27-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2,(H2,22,25)/t17-,21+/m1/s1
InChIKeyKPRJGWZSIKHRLY-UTKZUKDTSA-N
XLogP2.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92571538
(3R)-1-(cyclobutanecarbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569662
(3S)-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxamide
CID 92569611
(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583406
(3R)-1-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579805
1-(oxolane-2-carbonyl)-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231260
(3R)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92569695
(3S)-1-[(2S)-oxane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579786
(3S)-1-[(2R)-oxane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579788
N-ethyl-1-[(2S)-oxolane-2-carbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124946896
(3S)-1-butanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586379
1-(3-methoxybenzoyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231664

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92569685) is (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is NC(=O)[C@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@H]2CCCO2)C1.
What is the InChIKey of (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is KPRJGWZSIKHRLY-UTKZUKDTSA-N. The full InChI is InChI=1S/C21H24N2O3S/c22-20(25)21(8-9-23(14-21)19(24)17-6-2-10-26-17)13-15-4-1-5-16(12-15)18-7-3-11-27-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2,(H2,22,25)/t17-,21+/m1/s1.
What are the key properties of (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92569685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).