(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

C18H19N3OS — CID 32735405

IUPAC(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H19N3OS/c1-13(18(22)20-15-6-2-5-14(11-15)12-19)21-9-3-7-16(21)17-8-4-10-23-17/h2,4-6,8,10-11,13,16H,3,7,9H2,1H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyGZIGGMKMSKTHPD-XJKSGUPXSA-N
MW325.44 g/mol
LogP3.78
Rot. Bonds4

About (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide

(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 32735405) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
PubChem CID32735405
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1cccs1
InChIInChI=1S/C18H19N3OS/c1-13(18(22)20-15-6-2-5-14(11-15)12-19)21-9-3-7-16(21)17-8-4-10-23-17/h2,4-6,8,10-11,13,16H,3,7,9H2,1H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyGZIGGMKMSKTHPD-XJKSGUPXSA-N
XLogP3.78
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446715
(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446105
N-(3,4-difluorophenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)propanamide
CID 24506963
(2R)-N-(4-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944107
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
(2S)-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124834514
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124809702
(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-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9042725
ethyl 1-[1-(3-cyanoanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 16554666

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide (CID 32735405) is (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1cccs1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is GZIGGMKMSKTHPD-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13(18(22)20-15-6-2-5-14(11-15)12-19)21-9-3-7-16(21)17-8-4-10-23-17/h2,4-6,8,10-11,13,16H,3,7,9H2,1H3,(H,20,22)/t13-,16+/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide?
(2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 325.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 32735405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).