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

C19H16ClNO3S — CID 19503307

IUPAC4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(COc3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C19H16ClNO3S/c1-23-17-4-2-3-15(10-17)21-19(22)18-9-13(12-25-18)11-24-16-7-5-14(20)6-8-16/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyLHFJNAHDLIDNKT-UHFFFAOYSA-N
MW373.86 g/mol
LogP5.24
Rot. Bonds6

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

4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 19503307) has the molecular formula C19H16ClNO3S and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
PubChem CID19503307
Molecular FormulaC19H16ClNO3S
Molecular Weight373.86 g/mol
Exact Mass373.05
IUPAC Name4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(COc3ccc(Cl)cc3)cs2)c1
InChIInChI=1S/C19H16ClNO3S/c1-23-17-4-2-3-15(10-17)21-19(22)18-9-13(12-25-18)11-24-16-7-5-14(20)6-8-16/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyLHFJNAHDLIDNKT-UHFFFAOYSA-N
XLogP5.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
N-(3-chlorophenyl)-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493225
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500923
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
4-[(4-chlorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19503359
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide (CID 19503307) is 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide is COc1cccc(NC(=O)c2cc(COc3ccc(Cl)cc3)cs2)c1.
What is the InChIKey of 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is LHFJNAHDLIDNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S/c1-23-17-4-2-3-15(10-17)21-19(22)18-9-13(12-25-18)11-24-16-7-5-14(20)6-8-16/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide?
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 373.86 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19503307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).