(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

C17H20N2OS — CID 9446105

IUPAC(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C17H20N2OS/c1-13(17(20)18-14-7-3-2-4-8-14)19-11-5-9-15(19)16-10-6-12-21-16/h2-4,6-8,10,12-13,15H,5,9,11H2,1H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyFHNLQMOTWOJGGY-ZFWWWQNUSA-N
MW300.43 g/mol
LogP3.91
Rot. Bonds4

About (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 9446105) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
PubChem CID9446105
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C17H20N2OS/c1-13(17(20)18-14-7-3-2-4-8-14)19-11-5-9-15(19)16-10-6-12-21-16/h2-4,6-8,10,12-13,15H,5,9,11H2,1H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyFHNLQMOTWOJGGY-ZFWWWQNUSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
N-(3,4-difluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24506963
(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 32735405
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124834514
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944077
(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944117
(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124839965
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124809702
(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 25340767

Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (CID 9446105) is (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is FHNLQMOTWOJGGY-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(17(20)18-14-7-3-2-4-8-14)19-11-5-9-15(19)16-10-6-12-21-16/h2-4,6-8,10,12-13,15H,5,9,11H2,1H3,(H,18,20)/t13-,15-/m0/s1.
What are the key properties of (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 300.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 9446105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).