4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide

C17H21NO3S — CID 24551130

IUPAC4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCOc2ccc(OC)cc2)sc1C
InChIInChI=1S/C17H21NO3S/c1-4-13-11-16(22-12(13)2)17(19)18-9-10-21-15-7-5-14(20-3)6-8-15/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyAVRZZQQBIILGRX-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.44
Rot. Bonds7

About 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 24551130) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID24551130
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCCOc2ccc(OC)cc2)sc1C
InChIInChI=1S/C17H21NO3S/c1-4-13-11-16(22-12(13)2)17(19)18-9-10-21-15-7-5-14(20-3)6-8-15/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyAVRZZQQBIILGRX-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[2-(4-fluorophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 37363004
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
4-ethyl-5-methyl-N-propylthiophene-2-carboxamide
CID 60637688
N-[2-(4-methoxyphenoxy)ethyl]-5-nitrothiophene-2-carboxamide
CID 41442761
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-4-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110676453
1-benzyl-N-[2-(4-methoxyphenoxy)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 8935218
7-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]heptanoic acid
CID 43092885
N-[2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]ethyl]furan-2-carboxamide
CID 33189454
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide (CID 24551130) is 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCCOc2ccc(OC)cc2)sc1C.
What is the InChIKey of 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is AVRZZQQBIILGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-13-11-16(22-12(13)2)17(19)18-9-10-21-15-7-5-14(20-3)6-8-15/h5-8,11H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24551130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).