N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide

C13H16N2O2S — CID 95968730

IUPACN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H16N2O2S/c16-12(7-11-2-1-5-18-11)14-9-6-13(17)15(8-9)10-3-4-10/h1-2,5,9-10H,3-4,6-8H2,(H,14,16)/t9-/m0/s1
InChIKeyXMZSYYAZHPRHKX-VIFPVBQESA-N
MW264.35 g/mol
LogP1.17
Rot. Bonds4

About N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide

N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 95968730) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
PubChem CID95968730
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H16N2O2S/c16-12(7-11-2-1-5-18-11)14-9-6-13(17)15(8-9)10-3-4-10/h1-2,5,9-10H,3-4,6-8H2,(H,14,16)/t9-/m0/s1
InChIKeyXMZSYYAZHPRHKX-VIFPVBQESA-N
XLogP1.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255570
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 43971300
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 7255328
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
1-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 97096469
N-[(1S,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-2-thiophen-2-ylacetamide
CID 100715401
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110736543
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95985209

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide (CID 95968730) is N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is XMZSYYAZHPRHKX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-12(7-11-2-1-5-18-11)14-9-6-13(17)15(8-9)10-3-4-10/h1-2,5,9-10H,3-4,6-8H2,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide?
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 264.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 95968730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).