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

C20H15ClF3NO2S — CID 19483311

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccc1Cl
InChIInChI=1S/C20H15ClF3NO2S/c1-12-8-16(6-7-17(12)21)27-10-13-9-18(28-11-13)19(26)25-15-4-2-14(3-5-15)20(22,23)24/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyLZQOMHKBYXGCMX-UHFFFAOYSA-N
MW425.86 g/mol
LogP6.56
Rot. Bonds5

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

4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (PubChem CID 19483311) has the molecular formula C20H15ClF3NO2S and a molecular weight of 425.86 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
PubChem CID19483311
Molecular FormulaC20H15ClF3NO2S
Molecular Weight425.86 g/mol
Exact Mass425.05
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide
SMILESCc1cc(OCc2csc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccc1Cl
InChIInChI=1S/C20H15ClF3NO2S/c1-12-8-16(6-7-17(12)21)27-10-13-9-18(28-11-13)19(26)25-15-4-2-14(3-5-15)20(22,23)24/h2-9,11H,10H2,1H3,(H,25,26)
InChIKeyLZQOMHKBYXGCMX-UHFFFAOYSA-N
XLogP6.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.86
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-3-methylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 19483266
4-[(4-chloro-3-methylphenoxy)methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 19483323
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19493138
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19500883
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491160
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483383
N-(4-acetylphenyl)-4-[(4-chlorophenoxy)methyl]thiophene-2-carboxamide
CID 19503301
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19496923
N-[3-(trifluoromethyl)phenyl]-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19501110
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493011
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483406
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19483292

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide (CID 19483311) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is Cc1cc(OCc2csc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is LZQOMHKBYXGCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO2S/c1-12-8-16(6-7-17(12)21)27-10-13-9-18(28-11-13)19(26)25-15-4-2-14(3-5-15)20(22,23)24/h2-9,11H,10H2,1H3,(H,25,26).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 425.86 g/mol, XLogP of 6.56, 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-[4-(trifluoromethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19483311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).