2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide

C17H20N2O4S — CID 2093480

IUPAC2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C17H20N2O4S/c1-2-22-13-6-3-4-7-14(13)23-10-5-8-15(20)19-17-12(16(18)21)9-11-24-17/h3-4,6-7,9,11H,2,5,8,10H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAKODWSDGFFOUMO-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.04
Rot. Bonds9

About 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide

2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide (PubChem CID 2093480) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide
PubChem CID2093480
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide
SMILESCCOc1ccccc1OCCCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C17H20N2O4S/c1-2-22-13-6-3-4-7-14(13)23-10-5-8-15(20)19-17-12(16(18)21)9-11-24-17/h3-4,6-7,9,11H,2,5,8,10H2,1H3,(H2,18,21)(H,19,20)
InChIKeyAKODWSDGFFOUMO-UHFFFAOYSA-N
XLogP3.04
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide
CID 4106590
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2603958
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
5-Benzyl-2-{[(3,4-diethoxyphenyl)acetyl]amino}-3-thiophenecarboxamide
CID 998792
2-[[(2,3-Dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide
CID 1245133
Ethyl 2-[(2E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamido]-4,5-dimethylthiophene-3-carboxylate
CID 1553702
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenoxypropanoate
CID 4781237
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 4847147
ethyl 2-({(2E)-3-[3-methoxy-4-(pentyloxy)phenyl]prop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
CID 5710820

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide (CID 2093480) is 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide is CCOc1ccccc1OCCCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide?
The InChIKey is AKODWSDGFFOUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-22-13-6-3-4-7-14(13)23-10-5-8-15(20)19-17-12(16(18)21)9-11-24-17/h3-4,6-7,9,11H,2,5,8,10H2,1H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide?
2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenoxy)butanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 2093480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).