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

C19H15Cl2NO3S — CID 19503027

IUPACN-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(COc3ccccc3Cl)cs2)cc1Cl
InChIInChI=1S/C19H15Cl2NO3S/c1-24-16-7-6-13(9-15(16)21)22-19(23)18-8-12(11-26-18)10-25-17-5-3-2-4-14(17)20/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyCGRDMEILNPXADK-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.89
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19503027) has the molecular formula C19H15Cl2NO3S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
PubChem CID19503027
Molecular FormulaC19H15Cl2NO3S
Molecular Weight408.31 g/mol
Exact Mass407.01
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(COc3ccccc3Cl)cs2)cc1Cl
InChIInChI=1S/C19H15Cl2NO3S/c1-24-16-7-6-13(9-15(16)21)22-19(23)18-8-12(11-26-18)10-25-17-5-3-2-4-14(17)20/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyCGRDMEILNPXADK-UHFFFAOYSA-N
XLogP5.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.31
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
N-(3-chloro-4-methoxyphenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484551
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19496923
N-(3-chloro-4-fluorophenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495467
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,3-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19495311
N-(4-methoxyphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498782
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471677
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
4-[(4-chlorophenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19503307
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide (CID 19503027) is N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2cc(COc3ccccc3Cl)cs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is CGRDMEILNPXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3S/c1-24-16-7-6-13(9-15(16)21)22-19(23)18-8-12(11-26-18)10-25-17-5-3-2-4-14(17)20/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 408.31 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[(2-chlorophenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19503027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).