(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide

C12H17NO3S — CID 97240926

IUPAC(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
SMILESCO[C@H](C)C(=O)N[C@H](C)CC(=O)c1cccs1
InChIInChI=1S/C12H17NO3S/c1-8(13-12(15)9(2)16-3)7-10(14)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3,(H,13,15)/t8-,9-/m1/s1
InChIKeyUODKUEASBYVUGL-RKDXNWHRSA-N
MW255.34 g/mol
LogP1.86
Rot. Bonds6

About (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide

(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide (PubChem CID 97240926) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
PubChem CID97240926
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
SMILESCO[C@H](C)C(=O)N[C@H](C)CC(=O)c1cccs1
InChIInChI=1S/C12H17NO3S/c1-8(13-12(15)9(2)16-3)7-10(14)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3,(H,13,15)/t8-,9-/m1/s1
InChIKeyUODKUEASBYVUGL-RKDXNWHRSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide with MolForge

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Related Compounds

4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
3-methyl-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]but-2-enamide
CID 97240896
5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
CID 97330247
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
6-methyl-2-oxo-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 97240890
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide
CID 75387931
3-methyl-1-thiophen-2-ylhexane-1,4-dione
CID 14866583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide?
The IUPAC name of (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide (CID 97240926) is (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide.
What is the SMILES notation for (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide?
The canonical SMILES for (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide is CO[C@H](C)C(=O)N[C@H](C)CC(=O)c1cccs1.
What is the InChIKey of (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide?
The InChIKey is UODKUEASBYVUGL-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8(13-12(15)9(2)16-3)7-10(14)11-5-4-6-17-11/h4-6,8-9H,7H2,1-3H3,(H,13,15)/t8-,9-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide?
(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide has a molecular weight of 255.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide is sourced from PubChem (CID 97240926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).