1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide

C19H22N2O2S — CID 47719268

IUPAC1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cccs1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H22N2O2S/c22-18(14-15-6-2-1-3-7-15)21-12-4-9-17(21)19(23)20-11-10-16-8-5-13-24-16/h1-3,5-8,13,17H,4,9-12,14H2,(H,20,23)
InChIKeyDNOUYEQRBZPOSB-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.64
Rot. Bonds6

About 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide

1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 47719268) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID47719268
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cccs1)C1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C19H22N2O2S/c22-18(14-15-6-2-1-3-7-15)21-12-4-9-17(21)19(23)20-11-10-16-8-5-13-24-16/h1-3,5-8,13,17H,4,9-12,14H2,(H,20,23)
InChIKeyDNOUYEQRBZPOSB-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(2S)-N-[(4-ethylphenyl)methyl]-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 124721737
ethyl 3-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 10496803
1-(benzenesulfonyl)-N-(2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 42907960
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 60584974
1-[2-(4-chlorophenyl)acetyl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554503
(2R)-N-[[(2S)-2-methyloxolan-2-yl]methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 96537614
1-(2-phenylacetyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119557113
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide (CID 47719268) is 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide is O=C(NCCc1cccs1)C1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is DNOUYEQRBZPOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-18(14-15-6-2-1-3-7-15)21-12-4-9-17(21)19(23)20-11-10-16-8-5-13-24-16/h1-3,5-8,13,17H,4,9-12,14H2,(H,20,23).
What are the key properties of 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47719268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).