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

C17H19N3O3S — CID 6488142

IUPAC4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-13-9-15(16(22)18-10-14-7-4-8-24-14)20(11-13)17(23)19-12-5-2-1-3-6-12/h1-8,13,15,21H,9-11H2,(H,18,22)(H,19,23)
InChIKeyCIXYCDALVNFDIC-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.03
Rot. Bonds4

About 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 6488142) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID6488142
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1cccs1)C1CC(O)CN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O3S/c21-13-9-15(16(22)18-10-14-7-4-8-24-14)20(11-13)17(23)19-12-5-2-1-3-6-12/h1-8,13,15,21H,9-11H2,(H,18,22)(H,19,23)
InChIKeyCIXYCDALVNFDIC-UHFFFAOYSA-N
XLogP2.03
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 6488142) is 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is O=C(NCc1cccs1)C1CC(O)CN1C(=O)Nc1ccccc1.
What is the InChIKey of 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is CIXYCDALVNFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-13-9-15(16(22)18-10-14-7-4-8-24-14)20(11-13)17(23)19-12-5-2-1-3-6-12/h1-8,13,15,21H,9-11H2,(H,18,22)(H,19,23).
What are the key properties of 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-N-phenyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 6488142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).