N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide

C16H17NO2S — CID 2438918

IUPACN-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(C(C)=O)c2)cc1C
InChIInChI=1S/C16H17NO2S/c1-4-14-10(2)8-15(20-14)16(19)17-13-7-5-6-12(9-13)11(3)18/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyVUGMHNPFDDMFGJ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.07
Rot. Bonds4

About N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 2438918) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID2438918
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cccc(C(C)=O)c2)cc1C
InChIInChI=1S/C16H17NO2S/c1-4-14-10(2)8-15(20-14)16(19)17-13-7-5-6-12(9-13)11(3)18/h5-9H,4H2,1-3H3,(H,17,19)
InChIKeyVUGMHNPFDDMFGJ-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-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-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
HDAC inhibitor, Compound 1
CID 6918878
N-(2-methylphenyl)-2-(2-thienyl)acetamide
CID 670140
N-(2-Ethylphenyl)-2-thiophenecarboxamide
CID 765411
N-[3-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8197605
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-(2,3-dihydro-1H-inden-5-yl)thiophene-2-carboxamide
CID 782642
N-(5-Methyl-2-thienyl)benzamide
CID 570111
N-(4,5-dimethylthiophen-2-yl)benzamide
CID 570162
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-phenyl-3-thiophenecarboxamide
CID 902479

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 2438918) is N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cccc(C(C)=O)c2)cc1C.
What is the InChIKey of N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is VUGMHNPFDDMFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-4-14-10(2)8-15(20-14)16(19)17-13-7-5-6-12(9-13)11(3)18/h5-9H,4H2,1-3H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 2438918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).