(2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide

C18H18N2O2S — CID 16671629

IUPAC(2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1C=CCN1C(=O)c1cccs1
InChIInChI=1S/C18H18N2O2S/c21-17(19-11-10-14-6-2-1-3-7-14)15-8-4-12-20(15)18(22)16-9-5-13-23-16/h1-9,13,15H,10-12H2,(H,19,21)/t15-/m0/s1
InChIKeyPZGDBCGHRKUPET-HNNXBMFYSA-N
MW326.42 g/mol
LogP2.49
Rot. Bonds5

About (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide

(2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide (PubChem CID 16671629) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide
PubChem CID16671629
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide
SMILESO=C(NCCc1ccccc1)[C@@H]1C=CCN1C(=O)c1cccs1
InChIInChI=1S/C18H18N2O2S/c21-17(19-11-10-14-6-2-1-3-7-14)15-8-4-12-20(15)18(22)16-9-5-13-23-16/h1-9,13,15H,10-12H2,(H,19,21)/t15-/m0/s1
InChIKeyPZGDBCGHRKUPET-HNNXBMFYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide
CID 16671720
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 4073171
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86919860
(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9465319
N-(2-aminoethyl)-4-[2-phenylethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23967393
N-(2-aminoethyl)-4-[benzyl(2-phenylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23990374
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844555
1-(thiophene-2-carbonyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 78882058
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide (CID 16671629) is (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide is O=C(NCCc1ccccc1)[C@@H]1C=CCN1C(=O)c1cccs1.
What is the InChIKey of (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is PZGDBCGHRKUPET-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-17(19-11-10-14-6-2-1-3-7-14)15-8-4-12-20(15)18(22)16-9-5-13-23-16/h1-9,13,15H,10-12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
(2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 16671629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).