N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide

C19H15Cl2NO3S — CID 19500923

IUPACN-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)Nc3cccc(Cl)c3Cl)c2)c1
InChIInChI=1S/C19H15Cl2NO3S/c1-24-13-4-2-5-14(9-13)25-10-12-8-17(26-11-12)19(23)22-16-7-3-6-15(20)18(16)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyBJZBLILPZXMASI-UHFFFAOYSA-N
MW408.31 g/mol
LogP5.89
Rot. Bonds6

About N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide

N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19500923) has the molecular formula C19H15Cl2NO3S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19500923
Molecular FormulaC19H15Cl2NO3S
Molecular Weight408.31 g/mol
Exact Mass407.01
IUPAC NameN-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1cccc(OCc2csc(C(=O)Nc3cccc(Cl)c3Cl)c2)c1
InChIInChI=1S/C19H15Cl2NO3S/c1-24-13-4-2-5-14(9-13)25-10-12-8-17(26-11-12)19(23)22-16-7-3-6-15(20)18(16)21/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyBJZBLILPZXMASI-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

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500883
N-(2-chloro-5-nitrophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500938
N-(3-chloro-4-fluorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500907
4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 19483266
4-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19505150
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-(5-bromo-2-pyridinyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500887
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
4-[(3-methoxyphenoxy)methyl]-N-(1-phenylethyl)thiophene-2-carboxamide
CID 19500919
4-[(2,6-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19486975

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19500923) is N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1cccc(OCc2csc(C(=O)Nc3cccc(Cl)c3Cl)c2)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is BJZBLILPZXMASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3S/c1-24-13-4-2-5-14(9-13)25-10-12-8-17(26-11-12)19(23)22-16-7-3-6-15(20)18(16)21/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)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-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19500923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).