4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide

C20H17Cl2NO2S — CID 19483266

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)Nc3cccc(Cl)c3C)c2)ccc1Cl
InChIInChI=1S/C20H17Cl2NO2S/c1-12-8-15(6-7-16(12)21)25-10-14-9-19(26-11-14)20(24)23-18-5-3-4-17(22)13(18)2/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyFIRHIWJEVMDEOB-UHFFFAOYSA-N
MW406.33 g/mol
LogP6.50
Rot. Bonds5

About 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide

4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide (PubChem CID 19483266) has the molecular formula C20H17Cl2NO2S and a molecular weight of 406.33 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
PubChem CID19483266
Molecular FormulaC20H17Cl2NO2S
Molecular Weight406.33 g/mol
Exact Mass405.04
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)Nc3cccc(Cl)c3C)c2)ccc1Cl
InChIInChI=1S/C20H17Cl2NO2S/c1-12-8-15(6-7-16(12)21)25-10-14-9-19(26-11-14)20(24)23-18-5-3-4-17(22)13(18)2/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyFIRHIWJEVMDEOB-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

4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19505101
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
N-(3-chloro-2-methylphenyl)-4-[(2-methoxy-4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19495432
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
N-(2,3-dichlorophenyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500923
4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 19483311
4-[(4-chloro-3-methylphenoxy)methyl]-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)thiophene-2-carboxamide
CID 19483470
4-[(3-chlorophenoxy)methyl]-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 19505218
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
4-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 3550722
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide (CID 19483266) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide is Cc1cc(OCc2csc(C(=O)Nc3cccc(Cl)c3C)c2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is FIRHIWJEVMDEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO2S/c1-12-8-15(6-7-16(12)21)25-10-14-9-19(26-11-14)20(24)23-18-5-3-4-17(22)13(18)2/h3-9,11H,10H2,1-2H3,(H,23,24).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)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 4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19483266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).