1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea

C17H18FN3O2S — CID 16920355

IUPAC1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1cccs1
InChIInChI=1S/C17H18FN3O2S/c18-14-5-3-12(4-6-14)10-21-11-13(8-16(21)22)9-19-17(23)20-15-2-1-7-24-15/h1-7,13H,8-11H2,(H2,19,20,23)
InChIKeyKMPSFVVTEBSKIO-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.06
Rot. Bonds5

About 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea

1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea (PubChem CID 16920355) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea
PubChem CID16920355
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1cccs1
InChIInChI=1S/C17H18FN3O2S/c18-14-5-3-12(4-6-14)10-21-11-13(8-16(21)22)9-19-17(23)20-15-2-1-7-24-15/h1-7,13H,8-11H2,(H2,19,20,23)
InChIKeyKMPSFVVTEBSKIO-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 4918725
N-ethyl-2-{1-(4-fluorophenyl)-3-[2-(3-methylthien-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl}acetamide
CID 16193855
5-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 654468
N-ethyl-2-{1-(4-methylphenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-2,5-dioxo-4-imidazolidinyl}acetamide
CID 2962761
1-(4-methylphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 2998754
N1-(4-Methylphenyl)-N2-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3219699
1-(4-fluorophenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 653269
Pyrrolidine-1,2-dicarboxylic acid 2-[(thiophen-2-ylmethyl)-amide] 1-m-tolylamide
CID 3230197
N-(4-fluorophenyl)-2-{3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl}acetamide
CID 4775852
2-[1-(4-fluorophenyl)-3-[2-(3-methylthiophen-2-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 4917866
N-(3-fluorophenyl)-2-[1-(3-methylphenyl)-2,5-dioxo-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 16021965
2-Oxo-1-phenylpyrrolidine-3-carboxylic acid (2-thiophen-2-ylethyl)amide
CID 20964219

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea (CID 16920355) is 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea is O=C(NCC1CC(=O)N(Cc2ccc(F)cc2)C1)Nc1cccs1.
What is the InChIKey of 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea?
The InChIKey is KMPSFVVTEBSKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-14-5-3-12(4-6-14)10-21-11-13(8-16(21)22)9-19-17(23)20-15-2-1-7-24-15/h1-7,13H,8-11H2,(H2,19,20,23).
What are the key properties of 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea?
1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea has a molecular weight of 347.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 16920355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).