N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide

C20H16ClNO3S — CID 19505153

IUPACN-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-13(23)15-5-7-17(8-6-15)22-20(24)19-9-14(12-26-19)11-25-18-4-2-3-16(21)10-18/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyHUIWNURHGAEXOD-UHFFFAOYSA-N
MW385.87 g/mol
LogP5.44
Rot. Bonds6

About N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide

N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19505153) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19505153
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC NameN-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-13(23)15-5-7-17(8-6-15)22-20(24)19-9-14(12-26-19)11-25-18-4-2-3-16(21)10-18/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyHUIWNURHGAEXOD-UHFFFAOYSA-N
XLogP5.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.87
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]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-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493180
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19505101
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505217
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501156
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide (CID 19505153) is N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(COc3cccc(Cl)c3)cs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is HUIWNURHGAEXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-13(23)15-5-7-17(8-6-15)22-20(24)19-9-14(12-26-19)11-25-18-4-2-3-16(21)10-18/h2-10,12H,11H2,1H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide?
N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 385.87 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19505153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).