N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide

C20H17Cl2NO2S — CID 19505356

IUPACN-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(OCc2csc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1
InChIInChI=1S/C20H17Cl2NO2S/c1-12-3-13(2)5-18(4-12)25-10-14-6-19(26-11-14)20(24)23-17-8-15(21)7-16(22)9-17/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyDGSBLRFMIYPIDN-UHFFFAOYSA-N
MW406.33 g/mol
LogP6.50
Rot. Bonds5

About N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide

N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19505356) has the molecular formula C20H17Cl2NO2S and a molecular weight of 406.33 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19505356
Molecular FormulaC20H17Cl2NO2S
Molecular Weight406.33 g/mol
Exact Mass405.04
IUPAC NameN-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(OCc2csc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1
InChIInChI=1S/C20H17Cl2NO2S/c1-12-3-13(2)5-18(4-12)25-10-14-6-19(26-11-14)20(24)23-17-8-15(21)7-16(22)9-17/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyDGSBLRFMIYPIDN-UHFFFAOYSA-N
XLogP6.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19505455
4-[(3,5-dimethylphenoxy)methyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 19505415
4-[(2-chlorophenoxy)methyl]-N-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 19503002
4-[(3-methylphenoxy)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 19491150
4-[(3,5-dimethylphenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505471
4-[(3,5-dimethylphenoxy)methyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 19505532
N-(1-benzylpyrazol-4-yl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19505434
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-(3,5-dimethylphenyl)-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486859
N-(3,4-difluorophenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491098
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19505356) is N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cc(C)cc(OCc2csc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is DGSBLRFMIYPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2S/c1-12-3-13(2)5-18(4-12)25-10-14-6-19(26-11-14)20(24)23-17-8-15(21)7-16(22)9-17/h3-9,11H,10H2,1-2H3,(H,23,24).
What are the key properties of N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide?
N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 406.33 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[(3,5-dimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19505356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).