2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide

C16H14F3NO3S — CID 134957212

IUPAC2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCOc1ccc(-c2ccc(S(C)(=O)=NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-23-13-7-3-11(4-8-13)12-5-9-14(10-6-12)24(2,22)20-15(21)16(17,18)19/h3-10H,1-2H3
InChIKeyCERUYHJRRBRLRS-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.91
Rot. Bonds3

About 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide

2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide (PubChem CID 134957212) has the molecular formula C16H14F3NO3S and a molecular weight of 357.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide
PubChem CID134957212
Molecular FormulaC16H14F3NO3S
Molecular Weight357.35 g/mol
Exact Mass357.06
IUPAC Name2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCOc1ccc(-c2ccc(S(C)(=O)=NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO3S/c1-23-13-7-3-11(4-8-13)12-5-9-14(10-6-12)24(2,22)20-15(21)16(17,18)19/h3-10H,1-2H3
InChIKeyCERUYHJRRBRLRS-UHFFFAOYSA-N
XLogP3.91
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
1-methoxy-4-(trifluoromethylsulfonylmethylsulfonyl)benzene
CID 1482939
potassium (2S)-2-[[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino]propanoate
CID 102402408
methane;(4-methoxyphenyl)-[4-[4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 158386914
2-(4-methoxyphenyl)sulfonylguanidine
CID 10775754
3-[4-(4-methoxyphenyl)phenoxy]propane-1-sulfonate
CID 101477557
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide (CID 134957212) is 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide is COc1ccc(-c2ccc(S(C)(=O)=NC(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is CERUYHJRRBRLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3S/c1-23-13-7-3-11(4-8-13)12-5-9-14(10-6-12)24(2,22)20-15(21)16(17,18)19/h3-10H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide?
2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 357.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-(4-methoxyphenyl)phenyl]-methyl-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 134957212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).