5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide

C11H15NO2S — CID 64997383

IUPAC5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccc(C)s1
InChIInChI=1S/C11H15NO2S/c1-4-9(13)8(3)12-11(14)10-6-5-7(2)15-10/h5-6,8H,4H2,1-3H3,(H,12,14)
InChIKeyGURHNUKKAUCYRP-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.15
Rot. Bonds4

About 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide

5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide (PubChem CID 64997383) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
PubChem CID64997383
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide
SMILESCCC(=O)C(C)NC(=O)c1ccc(C)s1
InChIInChI=1S/C11H15NO2S/c1-4-9(13)8(3)12-11(14)10-6-5-7(2)15-10/h5-6,8H,4H2,1-3H3,(H,12,14)
InChIKeyGURHNUKKAUCYRP-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537
N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 17326902
N-(3-oxopentan-2-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744691
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
ethyl N-[(5-methylthiophene-2-carbonyl)amino]carbamate
CID 30948448
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
N-(1-imidazol-1-ylpropan-2-yl)-5-methylthiophene-2-carboxamide
CID 47187508
N-(3-oxopentan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 64991578
5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 27753913

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide (CID 64997383) is 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide is CCC(=O)C(C)NC(=O)c1ccc(C)s1.
What is the InChIKey of 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide?
The InChIKey is GURHNUKKAUCYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-4-9(13)8(3)12-11(14)10-6-5-7(2)15-10/h5-6,8H,4H2,1-3H3,(H,12,14).
What are the key properties of 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide?
5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide has a molecular weight of 225.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-oxopentan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 64997383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).