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

C23H24N2OS — CID 11944077

IUPAC(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C23H24N2OS/c1-17(25-15-7-13-21(25)22-14-8-16-27-22)23(26)24-20-12-6-5-11-19(20)18-9-3-2-4-10-18/h2-6,8-12,14,16-17,21H,7,13,15H2,1H3,(H,24,26)/t17-,21+/m0/s1
InChIKeyHZXNNKSJHNHAKH-LAUBAEHRSA-N
MW376.53 g/mol
LogP5.58
Rot. Bonds5

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

(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 11944077) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
PubChem CID11944077
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C23H24N2OS/c1-17(25-15-7-13-21(25)22-14-8-16-27-22)23(26)24-20-12-6-5-11-19(20)18-9-3-2-4-10-18/h2-6,8-12,14,16-17,21H,7,13,15H2,1H3,(H,24,26)/t17-,21+/m0/s1
InChIKeyHZXNNKSJHNHAKH-LAUBAEHRSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446105
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944117
(2R)-N-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 17441603
N-(3,4-difluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24506963
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
oxalic acid;N-(2-phenylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 171668760
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124834514
(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 32735405
(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124839965
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944089

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (CID 11944077) is (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is HZXNNKSJHNHAKH-LAUBAEHRSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-17(25-15-7-13-21(25)22-14-8-16-27-22)23(26)24-20-12-6-5-11-19(20)18-9-3-2-4-10-18/h2-6,8-12,14,16-17,21H,7,13,15H2,1H3,(H,24,26)/t17-,21+/m0/s1.
What are the key properties of (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 376.53 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11944077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).