1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

C24H24N2O3S — CID 110231275

IUPAC1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C24H24N2O3S/c25-23(28)24(15-18-8-10-19(11-9-18)21-7-4-14-30-21)12-13-26(17-24)22(27)16-29-20-5-2-1-3-6-20/h1-11,14H,12-13,15-17H2,(H2,25,28)
InChIKeyQKUBPKYUQYYACT-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.74
Rot. Bonds7

About 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110231275) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110231275
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C24H24N2O3S/c25-23(28)24(15-18-8-10-19(11-9-18)21-7-4-14-30-21)12-13-26(17-24)22(27)16-29-20-5-2-1-3-6-20/h1-11,14H,12-13,15-17H2,(H2,25,28)
InChIKeyQKUBPKYUQYYACT-UHFFFAOYSA-N
XLogP3.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(2-phenoxyacetyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92575352
1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620724
(3S)-1-butanoyl-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92586361
N-methyl-1-(2-phenoxyacetyl)-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230757
1-(pyridine-2-carbonyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805695
1-(2,2-dimethylpropanoyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083818
(3R)-1-[(2R)-oxolane-2-carbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92571538
N,N-dimethyl-1-propanoyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231225
1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 124961191
1-[2-(4-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231207
1-(3-methoxybenzoyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231664
(3S)-1-(2-methoxybenzoyl)-3-[(3-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601068

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110231275) is 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is NC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is QKUBPKYUQYYACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c25-23(28)24(15-18-8-10-19(11-9-18)21-7-4-14-30-21)12-13-26(17-24)22(27)16-29-20-5-2-1-3-6-20/h1-11,14H,12-13,15-17H2,(H2,25,28).
What are the key properties of 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110231275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).