(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide

C15H22N2O2S — CID 94817440

IUPAC(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
SMILESCC(C)[C@H](C(=O)N[C@@H](C)c1cccs1)N1CCCC1=O
InChIInChI=1S/C15H22N2O2S/c1-10(2)14(17-8-4-7-13(17)18)15(19)16-11(3)12-6-5-9-20-12/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,16,19)/t11-,14+/m0/s1
InChIKeyORKBNVHJERJNQE-SMDDNHRTSA-N
MW294.42 g/mol
LogP2.57
Rot. Bonds5

About (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide

(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide (PubChem CID 94817440) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
PubChem CID94817440
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
SMILESCC(C)[C@H](C(=O)N[C@@H](C)c1cccs1)N1CCCC1=O
InChIInChI=1S/C15H22N2O2S/c1-10(2)14(17-8-4-7-13(17)18)15(19)16-11(3)12-6-5-9-20-12/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,16,19)/t11-,14+/m0/s1
InChIKeyORKBNVHJERJNQE-SMDDNHRTSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817439
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenoxyphenyl)ethyl]butanamide
CID 60621260
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide
CID 3489886
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
1-[2-(2-oxoazepan-1-yl)ethyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94161198
2-acetamido-3-methyl-N-(1-thiophen-2-ylethyl)butanamide
CID 18126793
2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 115286494
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952828
N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
CID 47088898

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
The IUPAC name of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide (CID 94817440) is (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide is CC(C)[C@H](C(=O)N[C@@H](C)c1cccs1)N1CCCC1=O.
What is the InChIKey of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
The InChIKey is ORKBNVHJERJNQE-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(2)14(17-8-4-7-13(17)18)15(19)16-11(3)12-6-5-9-20-12/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,16,19)/t11-,14+/m0/s1.
What are the key properties of (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide?
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide has a molecular weight of 294.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide is sourced from PubChem (CID 94817440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).