N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide

C18H21NO4S — CID 8893671

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)c2cccs2)cc1OC
InChIInChI=1S/C18H21NO4S/c1-22-15-7-5-13(12-16(15)23-2)9-10-19-18(21)8-6-14(20)17-4-3-11-24-17/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,19,21)
InChIKeyMMHINDXIIRZPFX-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.09
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 8893671) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID8893671
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(CCNC(=O)CCC(=O)c2cccs2)cc1OC
InChIInChI=1S/C18H21NO4S/c1-22-15-7-5-13(12-16(15)23-2)9-10-19-18(21)8-6-14(20)17-4-3-11-24-17/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,19,21)
InChIKeyMMHINDXIIRZPFX-UHFFFAOYSA-N
XLogP3.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide 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-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 728907
N-(2-Aminoethyl)-N-(4-(benzyloxy)-3-methoxybenzyl)thiophene-2-carboxamide
CID 11675630
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6623334
Thiophene-2-acetamide, N-(3,4-dimethoxyphenethyl)-
CID 785974
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 2206758
Thiophene-2-carboxylic acid 1-[2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-ethyl ester
CID 3220261
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
[2-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4438642
N-[1-(3,4-diethoxyphenyl)ethyl]-2-thiophenecarboxamide
CID 5013707
2-(3,4-dimethoxyphenyl)-N-[3-(phenylsulfanyl)propyl]acetamide
CID 24818287
(Z)-N-(3,4-dimethoxyphenethyl)-N-((3-oxobenzo[b]thiophen-2(3H)-ylidene)methyl)acetamide
CID 1106416

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 8893671) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc(CCNC(=O)CCC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is MMHINDXIIRZPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-15-7-5-13(12-16(15)23-2)9-10-19-18(21)8-6-14(20)17-4-3-11-24-17/h3-5,7,11-12H,6,8-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 347.44 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 8893671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).