(2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C17H15N3O2S — CID 11922837

IUPAC(2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C17H15N3O2S/c18-11-12-5-7-13(8-6-12)19-16(21)14-3-1-9-20(14)17(22)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9H2,(H,19,21)/t14-/m0/s1
InChIKeyRZGZICHPGCATAM-AWEZNQCLSA-N
MW325.39 g/mol
LogP2.86
Rot. Bonds3

About (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 11922837) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID11922837
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name(2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C17H15N3O2S/c18-11-12-5-7-13(8-6-12)19-16(21)14-3-1-9-20(14)17(22)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9H2,(H,19,21)/t14-/m0/s1
InChIKeyRZGZICHPGCATAM-AWEZNQCLSA-N
XLogP2.86
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 11922837) is (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is N#Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RZGZICHPGCATAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N3O2S/c18-11-12-5-7-13(8-6-12)19-16(21)14-3-1-9-20(14)17(22)15-4-2-10-23-15/h2,4-8,10,14H,1,3,9H2,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-cyanophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11922837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).