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

C20H17F2NO2S — CID 19469744

IUPAC4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C20H17F2NO2S/c21-16-6-7-18(17(22)11-16)25-12-15-10-19(26-13-15)20(24)23-9-8-14-4-2-1-3-5-14/h1-7,10-11,13H,8-9,12H2,(H,23,24)
InChIKeyQDLDSSLBOUZQBH-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.58
Rot. Bonds7

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

4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 19469744) 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-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID19469744
Molecular FormulaC20H17F2NO2S
Molecular Weight373.42 g/mol
Exact Mass373.09
IUPAC Name4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(COc2ccc(F)cc2F)cs1
InChIInChI=1S/C20H17F2NO2S/c21-16-6-7-18(17(22)11-16)25-12-15-10-19(26-13-15)20(24)23-9-8-14-4-2-1-3-5-14/h1-7,10-11,13H,8-9,12H2,(H,23,24)
InChIKeyQDLDSSLBOUZQBH-UHFFFAOYSA-N
XLogP4.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469648
4-[(2,4-difluorophenoxy)methyl]-N-(2,3-dimethylphenyl)thiophene-2-carboxamide
CID 19469618
N-(1-adamantyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469636
N-(2,6-dibromo-4-fluorophenyl)-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495008
4-[(2,4-difluorophenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19469683
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495027
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469743
4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]-N-propylthiophene-2-carboxamide
CID 19484731
methyl 2-[[4-[(2,4-difluorophenoxy)methyl]thiophene-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19469703
N-(4-chloro-2-nitrophenyl)-4-[(2,4-difluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469689
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
4-[(2,4-dimethylphenoxy)methyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 19483513

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide (CID 19469744) is 4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide is O=C(NCCc1ccccc1)c1cc(COc2ccc(F)cc2F)cs1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is QDLDSSLBOUZQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO2S/c21-16-6-7-18(17(22)11-16)25-12-15-10-19(26-13-15)20(24)23-9-8-14-4-2-1-3-5-14/h1-7,10-11,13H,8-9,12H2,(H,23,24).
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide?
4-[(2,4-difluorophenoxy)methyl]-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 4.58, 7 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-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19469744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).