N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide

C20H17F2N3O2S — CID 24633206

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
SMILESC=C(c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1)n1ccnc1
InChIInChI=1S/C20H17F2N3O2S/c1-14(25-11-10-23-13-25)17-4-2-3-5-18(17)27-12-19(26)24-15-6-8-16(9-7-15)28-20(21)22/h2-11,13,20H,1,12H2,(H,24,26)
InChIKeyJYRBQBQTPTWXHF-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.73
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide (PubChem CID 24633206) has the molecular formula C20H17F2N3O2S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
PubChem CID24633206
Molecular FormulaC20H17F2N3O2S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
SMILESC=C(c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1)n1ccnc1
InChIInChI=1S/C20H17F2N3O2S/c1-14(25-11-10-23-13-25)17-4-2-3-5-18(17)27-12-19(26)24-15-6-8-16(9-7-15)28-20(21)22/h2-11,13,20H,1,12H2,(H,24,26)
InChIKeyJYRBQBQTPTWXHF-UHFFFAOYSA-N
XLogP4.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-imidazol-1-ylethenyl)phenoxy]-N-phenylacetamide
CID 24592029
N-(4-chlorophenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24592038
N-(3-chlorophenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24592032
methyl 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 42964430
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 2326558
[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 29243511
2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide
CID 26795665
1-[1-[2-[3-(4-chlorophenyl)sulfanylpropoxy]phenyl]ethenyl]imidazole
CID 3007472
N-[4-(difluoromethylsulfanyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 26499511
N-[4-(difluoromethylsulfanyl)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467585
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-(2-carbamothioylphenoxy)-N-pyridin-4-ylacetamide
CID 24703026

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide (CID 24633206) is N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide is C=C(c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1)n1ccnc1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide?
The InChIKey is JYRBQBQTPTWXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2S/c1-14(25-11-10-23-13-25)17-4-2-3-5-18(17)27-12-19(26)24-15-6-8-16(9-7-15)28-20(21)22/h2-11,13,20H,1,12H2,(H,24,26).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide has a molecular weight of 401.44 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide is sourced from PubChem (CID 24633206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).