N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide

C9H11NO2S — CID 87362251

IUPACN-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C=O)Cc1cccs1
InChIInChI=1S/C9H11NO2S/c1-7(12)10-8(6-11)5-9-3-2-4-13-9/h2-4,6,8H,5H2,1H3,(H,10,12)/t8-/m1/s1
InChIKeyFJPXYKJGKQZHRR-MRVPVSSYSA-N
MW197.26 g/mol
LogP0.99
Rot. Bonds4

About N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide

N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 87362251) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID87362251
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C=O)Cc1cccs1
InChIInChI=1S/C9H11NO2S/c1-7(12)10-8(6-11)5-9-3-2-4-13-9/h2-4,6,8H,5H2,1H3,(H,10,12)/t8-/m1/s1
InChIKeyFJPXYKJGKQZHRR-MRVPVSSYSA-N
XLogP0.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-(1-benzothiophen-2-yl)-3-oxopropan-2-yl]acetamide
CID 22858851
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
N-[(2R)-1-(1-benzothiophen-3-yl)-3-oxopropan-2-yl]acetamide
CID 87362441
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
(E)-3-(1-thiophen-2-ylpropan-2-ylamino)prop-2-enoic acid
CID 103251846
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
3-(thiophen-2-ylmethyl)hexa-4,5-dien-2-one
CID 175021470
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide (CID 87362251) is N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide is CC(=O)N[C@@H](C=O)Cc1cccs1.
What is the InChIKey of N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is FJPXYKJGKQZHRR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7(12)10-8(6-11)5-9-3-2-4-13-9/h2-4,6,8H,5H2,1H3,(H,10,12)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide?
N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 197.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 87362251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).