N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide

C15H16N2OS — CID 2805668

IUPACN-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1c1cccs1
InChIInChI=1S/C15H16N2OS/c18-15(16-12-6-2-1-3-7-12)17-10-4-8-13(17)14-9-5-11-19-14/h1-3,5-7,9,11,13H,4,8,10H2,(H,16,18)
InChIKeyKJBFKFRLLIRLTK-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.12
Rot. Bonds2

About N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 2805668) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID2805668
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1c1cccs1
InChIInChI=1S/C15H16N2OS/c18-15(16-12-6-2-1-3-7-12)17-10-4-8-13(17)14-9-5-11-19-14/h1-3,5-7,9,11,13H,4,8,10H2,(H,16,18)
InChIKeyKJBFKFRLLIRLTK-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(2-Methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 25229699
N-(2-cyanoethyl)-N'-phenyl-N-(2-thienylmethyl)urea
CID 2812721
N-(4-methylphenyl)-2-(thiophen-2-yl)pyrrolidine-1-carboxamide
CID 4881057
N-cyclopentyl-N'-phenyl-N-(2-thienylmethyl)urea
CID 935299
1-phenyl-4-thien-2-yl-1H-imidazole-2-thiol
CID 3538559
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-Phenyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2998480
1-(4-Propan-2-ylphenyl)-3-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 3217870
1-N-(3-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 3230247
1-(4-Nitrophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)urea
CID 3319384
1-(4-Fluorophenyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 3639889

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 2805668) is N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC1c1cccs1.
What is the InChIKey of N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is KJBFKFRLLIRLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(16-12-6-2-1-3-7-12)17-10-4-8-13(17)14-9-5-11-19-14/h1-3,5-7,9,11,13H,4,8,10H2,(H,16,18).
What are the key properties of N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 2805668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).