(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide

C24H27N3O2S — CID 69486492

IUPAC(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
SMILESN[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C24H27N3O2S/c25-20(15-18-16-30-22-11-5-4-10-19(18)22)23(28)26-21(14-17-8-2-1-3-9-17)24(29)27-12-6-7-13-27/h1-5,8-11,16,20-21H,6-7,12-15,25H2,(H,26,28)/t20-,21-/m0/s1
InChIKeyQQHYTXYANRKZTG-SFTDATJTSA-N
MW421.57 g/mol
LogP3.12
Rot. Bonds7

About (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide

(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide (PubChem CID 69486492) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
PubChem CID69486492
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide
SMILESN[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C24H27N3O2S/c25-20(15-18-16-30-22-11-5-4-10-19(18)22)23(28)26-21(14-17-8-2-1-3-9-17)24(29)27-12-6-7-13-27/h1-5,8-11,16,20-21H,6-7,12-15,25H2,(H,26,28)/t20-,21-/m0/s1
InChIKeyQQHYTXYANRKZTG-SFTDATJTSA-N
XLogP3.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]-4-methylpentanamide
CID 140518639
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119762004
2-amino-3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116849978
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 120610126
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
(2S)-2-[[2-amino-3-(1-benzothiophen-3-yl)propanoyl]amino]-3-cyclohexyl-N-(2-methoxyethyl)propanamide
CID 140518634
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 70059723
(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-(2,3-dihydro-1H-inden-2-yl)propanamide;hydrochloride
CID 69484677
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide (CID 69486492) is (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide is N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
The InChIKey is QQHYTXYANRKZTG-SFTDATJTSA-N. The full InChI is InChI=1S/C24H27N3O2S/c25-20(15-18-16-30-22-11-5-4-10-19(18)22)23(28)26-21(14-17-8-2-1-3-9-17)24(29)27-12-6-7-13-27/h1-5,8-11,16,20-21H,6-7,12-15,25H2,(H,26,28)/t20-,21-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide?
(2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide has a molecular weight of 421.57 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-benzothiophen-3-yl)-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]propanamide is sourced from PubChem (CID 69486492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).