1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea

C18H23N3OS — CID 3994335

IUPAC1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C18H23N3OS/c1-14(19-18(22)20-15-8-3-2-4-9-15)17(16-10-7-13-23-16)21-11-5-6-12-21/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3,(H2,19,20,22)
InChIKeyGCGQKWVEEUIHKE-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.10
Rot. Bonds5

About 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea

1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea (PubChem CID 3994335) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
PubChem CID3994335
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
SMILESCC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C18H23N3OS/c1-14(19-18(22)20-15-8-3-2-4-9-15)17(16-10-7-13-23-16)21-11-5-6-12-21/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3,(H2,19,20,22)
InChIKeyGCGQKWVEEUIHKE-UHFFFAOYSA-N
XLogP4.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(2-Methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
1-[3-Methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25263992
N-(2-cyanoethyl)-N'-phenyl-N-(2-thienylmethyl)urea
CID 2812721
N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-fluorophenyl)-2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 3498692
1-Cyclopentyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 935299
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 2805668
4-methyl-N-phenyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
CID 3484025
Pyrrolidine-1,2-dicarboxylic acid 1-phenylamide 2-[(thiophen-2-ylmethyl)-amide]
CID 649454
1,3-Diphenyl-2-(thiophen-2-yl)imidazolidine
CID 830758
1-Phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2998480

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
The IUPAC name of 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea (CID 3994335) is 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea is CC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCCC1.
What is the InChIKey of 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
The InChIKey is GCGQKWVEEUIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14(19-18(22)20-15-8-3-2-4-9-15)17(16-10-7-13-23-16)21-11-5-6-12-21/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3,(H2,19,20,22).
What are the key properties of 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea?
1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea has a molecular weight of 329.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea is sourced from PubChem (CID 3994335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).