N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

C16H20N4O2S — CID 71688563

IUPACN-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H20N4O2S/c21-15-5-4-14(20(15)11-13-3-1-10-23-13)16(22)18-6-2-8-19-9-7-17-12-19/h1,3,7,9-10,12,14H,2,4-6,8,11H2,(H,18,22)
InChIKeyRVFWOEAPFKHERE-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.64
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide

N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 71688563) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID71688563
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCC(=O)N1Cc1cccs1
InChIInChI=1S/C16H20N4O2S/c21-15-5-4-14(20(15)11-13-3-1-10-23-13)16(22)18-6-2-8-19-9-7-17-12-19/h1,3,7,9-10,12,14H,2,4-6,8,11H2,(H,18,22)
InChIKeyRVFWOEAPFKHERE-UHFFFAOYSA-N
XLogP1.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide (CID 71688563) is N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCCCn1ccnc1)C1CCC(=O)N1Cc1cccs1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is RVFWOEAPFKHERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-15-5-4-14(20(15)11-13-3-1-10-23-13)16(22)18-6-2-8-19-9-7-17-12-19/h1,3,7,9-10,12,14H,2,4-6,8,11H2,(H,18,22).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71688563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).