4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide

C20H17F2NO2S — CID 19469618

IUPAC4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(COc3ccc(F)cc3F)cs2)c1C
InChIInChI=1S/C20H17F2NO2S/c1-12-4-3-5-17(13(12)2)23-20(24)19-8-14(11-26-19)10-25-18-7-6-15(21)9-16(18)22/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyKCXIBCRTGQTXNU-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.47
Rot. Bonds5

About 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide

4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide (PubChem CID 19469618) has the molecular formula C20H17F2NO2S and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
PubChem CID19469618
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(COc3ccc(F)cc3F)cs2)c1C
InChIInChI=1S/C20H17F2NO2S/c1-12-4-3-5-17(13(12)2)23-20(24)19-8-14(11-26-19)10-25-18-7-6-15(21)9-16(18)22/h3-9,11H,10H2,1-2H3,(H,23,24)
InChIKeyKCXIBCRTGQTXNU-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
4-[(2,5-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19471555
N-(2,3-dimethylphenyl)-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492883
4-[(3-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19505101
4-[(2,4-dimethylphenoxy)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 19483536
methyl 2-[[4-[(2,4-difluorophenoxy)methyl]thiophene-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19469703
4-[(2,3-dimethylphenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19495261
N-(2-ethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19498796
N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469689
4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19469744
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469648
N-(2,4-dimethylphenyl)-4-[(2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19501342

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide (CID 19469618) is 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide is Cc1cccc(NC(=O)c2cc(COc3ccc(F)cc3F)cs2)c1C.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
The InChIKey is KCXIBCRTGQTXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c1-12-4-3-5-17(13(12)2)23-20(24)19-8-14(11-26-19)10-25-18-7-6-15(21)9-16(18)22/h3-9,11H,10H2,1-2H3,(H,23,24).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide?
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19469618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).