N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide

C17H20N2O3S — CID 113060835

IUPACN-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(CCNC(=O)c2cccs2)C(C)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-22-15-8-6-14(7-9-15)19(13(2)20)11-10-18-17(21)16-5-4-12-23-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyXBRQNBBZCSEEJU-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide

N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113060835) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide
PubChem CID113060835
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(N(CCNC(=O)c2cccs2)C(C)=O)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-22-15-8-6-14(7-9-15)19(13(2)20)11-10-18-17(21)16-5-4-12-23-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyXBRQNBBZCSEEJU-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(N-acetyl-4-ethoxyanilino)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

N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]-2-methylbenzamide
CID 113060837
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
CID 113058294
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
N-[2-(N-acetyl-3,4,5-trimethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113063397
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
CID 113063780
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]thiophene-2-carboxamide
CID 113062423
N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769
3-(thiophene-2-carbonylamino)propyl 2-(4-ethoxyphenoxy)acetate
CID 84559948
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide (CID 113060835) is N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide is CCOc1ccc(N(CCNC(=O)c2cccs2)C(C)=O)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is XBRQNBBZCSEEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-22-15-8-6-14(7-9-15)19(13(2)20)11-10-18-17(21)16-5-4-12-23-16/h4-9,12H,3,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide?
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113060835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).