N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide

C17H21NO3S — CID 36665080

IUPACN-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C17H21NO3S/c1-5-20-13-7-8-16(21-6-2)15(10-13)18-17(19)14-9-11(3)22-12(14)4/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyYEQOYSBNWWYOSZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.41
Rot. Bonds6

About N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide

N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 36665080) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID36665080
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C17H21NO3S/c1-5-20-13-7-8-16(21-6-2)15(10-13)18-17(19)14-9-11(3)22-12(14)4/h7-10H,5-6H2,1-4H3,(H,18,19)
InChIKeyYEQOYSBNWWYOSZ-UHFFFAOYSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-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-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55384187
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-(2,5-diethoxyphenyl)-2-ethylsulfonylbenzamide
CID 33182974
N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 34741571
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
3,5-diacetamido-N-(2,5-diethoxyphenyl)benzamide
CID 9490111
3-chloro-N-(2,5-diethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 34739145
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)pyrrolidine-1-carboxamide
CID 115581858
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
5-bromo-N-(2,5-diethoxyphenyl)furan-2-carboxamide
CID 26180023
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide (CID 36665080) is N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cc(C)sc2C)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is YEQOYSBNWWYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-5-20-13-7-8-16(21-6-2)15(10-13)18-17(19)14-9-11(3)22-12(14)4/h7-10H,5-6H2,1-4H3,(H,18,19).
What are the key properties of N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide?
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 36665080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).