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

C20H16ClNO3S — CID 19503301

IUPACN-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-13(23)15-2-6-17(7-3-15)22-20(24)19-10-14(12-26-19)11-25-18-8-4-16(21)5-9-18/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyRAVSCVLVPYUCEH-UHFFFAOYSA-N
MW385.87 g/mol
LogP5.44
Rot. Bonds6

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

N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19503301) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19503301
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC NameN-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(COc3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-13(23)15-2-6-17(7-3-15)22-20(24)19-10-14(12-26-19)11-25-18-8-4-16(21)5-9-18/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyRAVSCVLVPYUCEH-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

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Related Compounds

N-(4-acetylphenyl)-4-[(3-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19505153
N-(4-acetylphenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493180
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
4-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 19503369
N-(4-acetylphenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501156
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
4-[(4-chlorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19503442
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide (CID 19503301) is N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(COc3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is RAVSCVLVPYUCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-13(23)15-2-6-17(7-3-15)22-20(24)19-10-14(12-26-19)11-25-18-8-4-16(21)5-9-18/h2-10,12H,11H2,1H3,(H,22,24).
What are the key properties of N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide?
N-(4-acetylphenyl)-4-[(4-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-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19503301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).