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

C24H26N2OS — CID 11944117

IUPAC(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C24H26N2OS/c1-18(26-16-8-14-21(26)22-15-9-17-28-22)24(27)25-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,9-13,15,17-18,21,23H,8,14,16H2,1H3,(H,25,27)/t18-,21-/m1/s1
InChIKeyYVIXBJHWCKLZMV-WIYYLYMNSA-N
MW390.55 g/mol
LogP5.18
Rot. Bonds6

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

(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 11944117) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
PubChem CID11944117
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C24H26N2OS/c1-18(26-16-8-14-21(26)22-15-9-17-28-22)24(27)25-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,9-13,15,17-18,21,23H,8,14,16H2,1H3,(H,25,27)/t18-,21-/m1/s1
InChIKeyYVIXBJHWCKLZMV-WIYYLYMNSA-N
XLogP5.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.18
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-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944077
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
(2S)-N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124839965
N-(3,4-difluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24506963
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124834514
(2R)-1-(4-phenylpiperazin-1-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 25340767
(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 124719171
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 32735405

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (CID 11944117) is (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is YVIXBJHWCKLZMV-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-18(26-16-8-14-21(26)22-15-9-17-28-22)24(27)25-23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,9-13,15,17-18,21,23H,8,14,16H2,1H3,(H,25,27)/t18-,21-/m1/s1.
What are the key properties of (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
(2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 390.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzhydryl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11944117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).