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

C18H18N2O2S — CID 16671720

IUPAC(2R)-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-/m1/s1
InChIKeyPZGDBCGHRKUPET-OAHLLOKOSA-N
MW326.42 g/mol
LogP2.49
Rot. Bonds5

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

(2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide (PubChem CID 16671720) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide
PubChem CID16671720
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(2R)-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-/m1/s1
InChIKeyPZGDBCGHRKUPET-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
The IUPAC name of (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide (CID 16671720) is (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
The canonical SMILES for (2R)-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 (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
The InChIKey is PZGDBCGHRKUPET-OAHLLOKOSA-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-/m1/s1.
What are the key properties of (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide?
(2R)-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 (2R)-N-(2-phenylethyl)-1-(thiophene-2-carbonyl)-2,5-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 16671720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).