N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

C17H20N2OS — CID 119794217

IUPACN-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1cccs1)C1CCNC1
InChIInChI=1S/C17H20N2OS/c20-17(14-8-9-18-12-14)19-15(16-7-4-10-21-16)11-13-5-2-1-3-6-13/h1-7,10,14-15,18H,8-9,11-12H2,(H,19,20)
InChIKeyDDJYBWNOWOBVAA-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.76
Rot. Bonds5

About N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 119794217) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID119794217
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1cccs1)C1CCNC1
InChIInChI=1S/C17H20N2OS/c20-17(14-8-9-18-12-14)19-15(16-7-4-10-21-16)11-13-5-2-1-3-6-13/h1-7,10,14-15,18H,8-9,11-12H2,(H,19,20)
InChIKeyDDJYBWNOWOBVAA-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
(2R)-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 95629116
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-3-carboxamide
CID 119780846
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (CID 119794217) is N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is O=C(NC(Cc1ccccc1)c1cccs1)C1CCNC1.
What is the InChIKey of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is DDJYBWNOWOBVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c20-17(14-8-9-18-12-14)19-15(16-7-4-10-21-16)11-13-5-2-1-3-6-13/h1-7,10,14-15,18H,8-9,11-12H2,(H,19,20).
What are the key properties of N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119794217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).