1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea

C17H19N3O2S — CID 71868574

IUPAC1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
SMILESCN(C(=O)NCc1ccsc1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H19N3O2S/c1-19(17(22)18-11-13-8-10-23-12-13)15-7-9-20(16(15)21)14-5-3-2-4-6-14/h2-6,8,10,12,15H,7,9,11H2,1H3,(H,18,22)
InChIKeyKXLRJXVGWDNMCP-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.69
Rot. Bonds4

About 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea

1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea (PubChem CID 71868574) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
PubChem CID71868574
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
SMILESCN(C(=O)NCc1ccsc1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H19N3O2S/c1-19(17(22)18-11-13-8-10-23-12-13)15-7-9-20(16(15)21)14-5-3-2-4-6-14/h2-6,8,10,12,15H,7,9,11H2,1H3,(H,18,22)
InChIKeyKXLRJXVGWDNMCP-UHFFFAOYSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea (CID 71868574) is 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea is CN(C(=O)NCc1ccsc1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
The InChIKey is KXLRJXVGWDNMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-19(17(22)18-11-13-8-10-23-12-13)15-7-9-20(16(15)21)14-5-3-2-4-6-14/h2-6,8,10,12,15H,7,9,11H2,1H3,(H,18,22).
What are the key properties of 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea?
1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea has a molecular weight of 329.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 71868574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).