1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C17H19N3O2S — CID 649454

IUPAC1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O2S/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,18,21)(H,19,22)
InChIKeyCSKQQKMHWSPMGB-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.06
Rot. Bonds4

About 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 649454) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID649454
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O2S/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,18,21)(H,19,22)
InChIKeyCSKQQKMHWSPMGB-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 649454) is 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is CSKQQKMHWSPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,18,21)(H,19,22).
What are the key properties of 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 649454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).