N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide

C17H18N2O2S — CID 95234437

IUPACN-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O2S/c20-16(7-6-13-9-11-22-12-13)18-15-8-10-19(17(15)21)14-4-2-1-3-5-14/h1-5,9,11-12,15H,6-8,10H2,(H,18,20)/t15-/m0/s1
InChIKeyBKBSVVKGNKPCHU-HNNXBMFYSA-N
MW314.41 g/mol
LogP2.60
Rot. Bonds5

About N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide

N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide (PubChem CID 95234437) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide
PubChem CID95234437
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H18N2O2S/c20-16(7-6-13-9-11-22-12-13)18-15-8-10-19(17(15)21)14-4-2-1-3-5-14/h1-5,9,11-12,15H,6-8,10H2,(H,18,20)/t15-/m0/s1
InChIKeyBKBSVVKGNKPCHU-HNNXBMFYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71876955
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260329
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260330
3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 120611290
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
(2R)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-2-phenylbutanamide
CID 95234374
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide (CID 95234437) is N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)N[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is BKBSVVKGNKPCHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(7-6-13-9-11-22-12-13)18-15-8-10-19(17(15)21)14-4-2-1-3-5-14/h1-5,9,11-12,15H,6-8,10H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide?
N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 95234437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).