5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

C14H20N2O3S — CID 115699814

IUPAC5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C14H20N2O3S/c1-10(2)9-19-7-6-15-13(17)8-16-14(18)12-5-4-11(3)20-12/h4-5H,1,6-9H2,2-3H3,(H,15,17)(H,16,18)
InChIKeyJFPHCKSRUJTGFP-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.50
Rot. Bonds8

About 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 115699814) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID115699814
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C14H20N2O3S/c1-10(2)9-19-7-6-15-13(17)8-16-14(18)12-5-4-11(3)20-12/h4-5H,1,6-9H2,2-3H3,(H,15,17)(H,16,18)
InChIKeyJFPHCKSRUJTGFP-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699973
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179
4-bromo-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699642
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
2-methoxy-3-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 106108149
N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 115699814) is 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is C=C(C)COCCNC(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is JFPHCKSRUJTGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(2)9-19-7-6-15-13(17)8-16-14(18)12-5-4-11(3)20-12/h4-5H,1,6-9H2,2-3H3,(H,15,17)(H,16,18).
What are the key properties of 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 115699814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).