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

C9H14N2O2S — CID 81122879

IUPAC4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCNC(=O)c1cc(OC)cs1
InChIInChI=1S/C9H14N2O2S/c1-10-3-4-11-9(12)8-5-7(13-2)6-14-8/h5-6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyYWTAZMFOWGJDJM-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.71
Rot. Bonds5

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

4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (PubChem CID 81122879) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
PubChem CID81122879
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
SMILESCNCCNC(=O)c1cc(OC)cs1
InChIInChI=1S/C9H14N2O2S/c1-10-3-4-11-9(12)8-5-7(13-2)6-14-8/h5-6,10H,3-4H2,1-2H3,(H,11,12)
InChIKeyYWTAZMFOWGJDJM-UHFFFAOYSA-N
XLogP0.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.71
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-(4-hydroxybutyl)-4-methoxythiophene-2-carboxamide
CID 106843518
N-(3-chlorobutyl)-4-methoxythiophene-2-carboxamide
CID 114301701
N-(5-chloropentyl)-4-methoxythiophene-2-carboxamide
CID 107321593
N-(6-bromohexyl)-4-methoxythiophene-2-carboxamide
CID 107847519
N-(3-amino-3-hydroxyiminopropyl)-4-methoxythiophene-2-carboxamide
CID 81124953
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]thiophene-2-carboxamide
CID 113258486
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 103800830
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
N-[2-(4-aminophenyl)ethyl]-4-methoxythiophene-2-carboxamide
CID 81117472
N-[(E)-4-chlorobut-2-enyl]-4-methoxythiophene-2-carboxamide
CID 81429900
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121352

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide (CID 81122879) is 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is CNCCNC(=O)c1cc(OC)cs1.
What is the InChIKey of 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is YWTAZMFOWGJDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-10-3-4-11-9(12)8-5-7(13-2)6-14-8/h5-6,10H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide?
4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(methylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 81122879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).