2-(3-methylthiophen-2-yl)-2-oxoacetamide

C7H7NO2S — CID 116924521

IUPAC2-(3-methylthiophen-2-yl)-2-oxoacetamide
SMILESCc1ccsc1C(=O)C(N)=O
InChIInChI=1S/C7H7NO2S/c1-4-2-3-11-6(4)5(9)7(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyMUMHFDVHALADMJ-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.72
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)-2-oxoacetamide

2-(3-methylthiophen-2-yl)-2-oxoacetamide (PubChem CID 116924521) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-2-oxoacetamide
PubChem CID116924521
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name2-(3-methylthiophen-2-yl)-2-oxoacetamide
SMILESCc1ccsc1C(=O)C(N)=O
InChIInChI=1S/C7H7NO2S/c1-4-2-3-11-6(4)5(9)7(8)10/h2-3H,1H3,(H2,8,10)
InChIKeyMUMHFDVHALADMJ-UHFFFAOYSA-N
XLogP0.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
[(3-methylthiophene-2-carbonyl)amino]thiourea
CID 65214886
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane
CID 91068809
1-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 83957669
[1-(dimethylamino)cyclopentyl]-(3-methylthiophen-2-yl)methanone
CID 79991094
N'-(3-methylthiophen-2-yl)oxamide
CID 115191626
2-(hydroxymethyl)-1-(3-methylthiophen-2-yl)butan-1-one
CID 116923143
2-hydroxy-3,3-dimethyl-1-(3-methylthiophen-2-yl)butan-1-one
CID 103456225
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylthiophene-2-carboxamide
CID 76928249
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(3-methylthiophen-2-yl)-2-oxoacetamide (CID 116924521) is 2-(3-methylthiophen-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-2-oxoacetamide is Cc1ccsc1C(=O)C(N)=O.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-2-oxoacetamide?
The InChIKey is MUMHFDVHALADMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-4-2-3-11-6(4)5(9)7(8)10/h2-3H,1H3,(H2,8,10).
What are the key properties of 2-(3-methylthiophen-2-yl)-2-oxoacetamide?
2-(3-methylthiophen-2-yl)-2-oxoacetamide has a molecular weight of 169.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-2-oxoacetamide is sourced from PubChem (CID 116924521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).