5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide

C14H22N2O3S — CID 51291707

IUPAC5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-9-8-10(16-13(18)14(2,3)4)20-11(9)12(17)15-6-7-19-5/h8H,6-7H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyCFEPMYIFMKSTRC-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.42
Rot. Bonds5

About 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide (PubChem CID 51291707) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
PubChem CID51291707
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
SMILESCOCCNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O3S/c1-9-8-10(16-13(18)14(2,3)4)20-11(9)12(17)15-6-7-19-5/h8H,6-7H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyCFEPMYIFMKSTRC-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 34866981
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33229214
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 34166719
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[4-(N-methylanilino)butyl]thiophene-2-carboxamide
CID 60566245
N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
CID 94477906
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(4-nitrophenyl)methyl]thiophene-2-carboxamide
CID 55899499
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 24583629
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-methyl-3-sulfamoylphenyl)thiophene-2-carboxamide
CID 46678103
5-(2,2-dimethylpropanoylamino)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylthiophene-2-carboxamide
CID 55522094
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 42928978
5-(2,2-dimethylpropanoylamino)-3-methyl-N-(4-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 33218047

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide (CID 51291707) is 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide is COCCNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide?
The InChIKey is CFEPMYIFMKSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-8-10(16-13(18)14(2,3)4)20-11(9)12(17)15-6-7-19-5/h8H,6-7H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 51291707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).