N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide

C16H19NO3S — CID 123864348

IUPACN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-3-20-13-7-6-12(11-14(13)19-2)8-9-17-16(18)15-5-4-10-21-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyXJKMNLQPJIAZBI-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 123864348) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID123864348
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cccs2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-3-20-13-7-6-12(11-14(13)19-2)8-9-17-16(18)15-5-4-10-21-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyXJKMNLQPJIAZBI-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-ethoxy-3-methoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-2-(thiophene-2-carbonyl)benzamide
CID 9404427
N-[3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 111213869
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653801
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
3-(thiophene-2-carbonylamino)propyl 3-(3,4-dimethoxyphenyl)propanoate
CID 84559141
methyl 3-[2-(4-ethoxy-3-methoxyphenyl)ethylcarbamoylamino]propanoate
CID 108891767
5-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 26851346
N-[3-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55930691
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide
CID 3874381
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 123864348) is N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide is CCOc1ccc(CCNC(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is XJKMNLQPJIAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-20-13-7-6-12(11-14(13)19-2)8-9-17-16(18)15-5-4-10-21-15/h4-7,10-11H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 123864348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).