4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide

C12H17NO3S — CID 113258486

IUPAC4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1cc(OC)cs1
InChIInChI=1S/C12H17NO3S/c1-9(2)7-16-5-4-13-12(14)11-6-10(15-3)8-17-11/h6,8H,1,4-5,7H2,2-3H3,(H,13,14)
InChIKeyKKLVFIIFAKSCIR-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.08
Rot. Bonds7

About 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide

4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide (PubChem CID 113258486) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
PubChem CID113258486
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
SMILESC=C(C)COCCNC(=O)c1cc(OC)cs1
InChIInChI=1S/C12H17NO3S/c1-9(2)7-16-5-4-13-12(14)11-6-10(15-3)8-17-11/h6,8H,1,4-5,7H2,2-3H3,(H,13,14)
InChIKeyKKLVFIIFAKSCIR-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 81122879
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
N-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
3-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 114469581
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-methoxythiophene-2-carboxamide
CID 114317317
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide (CID 113258486) is 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide is C=C(C)COCCNC(=O)c1cc(OC)cs1.
What is the InChIKey of 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is KKLVFIIFAKSCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(2)7-16-5-4-13-12(14)11-6-10(15-3)8-17-11/h6,8H,1,4-5,7H2,2-3H3,(H,13,14).
What are the key properties of 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide?
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113258486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).