N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide

C10H13NO2S — CID 165362140

IUPACN-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(=O)N(C)C(C)C(=O)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-7(11(3)8(2)12)10(13)9-5-4-6-14-9/h4-7H,1-3H3
InChIKeyGXWWLFJTCPWILA-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.80
Rot. Bonds3

About N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide

N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 165362140) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID165362140
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(=O)N(C)C(C)C(=O)c1cccs1
InChIInChI=1S/C10H13NO2S/c1-7(11(3)8(2)12)10(13)9-5-4-6-14-9/h4-7H,1-3H3
InChIKeyGXWWLFJTCPWILA-UHFFFAOYSA-N
XLogP1.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methylamino)-1-thiophen-2-ylpropan-1-one
CID 93492517
2-amino-3-oxo-3-thiophen-2-ylpropanoic acid
CID 23461562
(2S)-2-[4-(dimethylamino)phenyl]-2-hydroxy-1-thiophen-2-ylethanone
CID 672167
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360
(2S)-2-anilino-1-thiophen-2-ylpropan-1-one
CID 155933844
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517
4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide
CID 141435454
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
tert-butyl 2-methyl-3-oxo-3-thiophen-2-ylpropanoate
CID 66338153
(2S)-1-(4-chlorophenyl)-2-methyl-3-thiophen-2-ylpropane-1,3-dione
CID 129383182
ethyl (2S)-3-oxo-2-(thiophene-2-carbonyl)butanoate
CID 98044566

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide (CID 165362140) is N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide is CC(=O)N(C)C(C)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is GXWWLFJTCPWILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(11(3)8(2)12)10(13)9-5-4-6-14-9/h4-7H,1-3H3.
What are the key properties of N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide?
N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 211.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-oxo-1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 165362140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).