2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide

C15H20F4N2O3S — CID 59250543

IUPAC2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide
SMILESC[S@@](=O)N[C@@](C)(CC(C)(C)O)c1cc(NC(=O)C(F)(F)F)ccc1F
InChIInChI=1S/C15H20F4N2O3S/c1-13(2,23)8-14(3,21-25(4)24)10-7-9(5-6-11(10)16)20-12(22)15(17,18)19/h5-7,21,23H,8H2,1-4H3,(H,20,22)/t14-,25+/m0/s1
InChIKeyDQDNVVYKUNDEFI-HWRSSNJWSA-N
MW384.40 g/mol
LogP2.59
Rot. Bonds6

About 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide

2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide (PubChem CID 59250543) has the molecular formula C15H20F4N2O3S and a molecular weight of 384.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide
PubChem CID59250543
Molecular FormulaC15H20F4N2O3S
Molecular Weight384.40 g/mol
Exact Mass384.11
IUPAC Name2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide
SMILESC[S@@](=O)N[C@@](C)(CC(C)(C)O)c1cc(NC(=O)C(F)(F)F)ccc1F
InChIInChI=1S/C15H20F4N2O3S/c1-13(2,23)8-14(3,21-25(4)24)10-7-9(5-6-11(10)16)20-12(22)15(17,18)19/h5-7,21,23H,8H2,1-4H3,(H,20,22)/t14-,25+/m0/s1
InChIKeyDQDNVVYKUNDEFI-HWRSSNJWSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3S)-3-[[(R)-tert-butylsulfinyl]amino]-3-[2-fluoro-5-[(2,2,2-trifluoroacetyl)amino]phenyl]butanoate
CID 140547836
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
2,2,2-trifluoro-N-(3-fluoro-4-methylsulfanylphenyl)acetamide
CID 142667086
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
2-amino-N-(3-fluoro-4-methylphenyl)-2-methylbutanamide
CID 79797233
N-[3-[N-[(R)-tert-butylsulfinyl]-C-methylcarbonimidoyl]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 154043890
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2-(azetidin-1-ylsulfinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 162557111
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide (CID 59250543) is 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide is C[S@@](=O)N[C@@](C)(CC(C)(C)O)c1cc(NC(=O)C(F)(F)F)ccc1F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide?
The InChIKey is DQDNVVYKUNDEFI-HWRSSNJWSA-N. The full InChI is InChI=1S/C15H20F4N2O3S/c1-13(2,23)8-14(3,21-25(4)24)10-7-9(5-6-11(10)16)20-12(22)15(17,18)19/h5-7,21,23H,8H2,1-4H3,(H,20,22)/t14-,25+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide has a molecular weight of 384.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-fluoro-3-[(2S)-4-hydroxy-4-methyl-2-[[(R)-methylsulfinyl]amino]pentan-2-yl]phenyl]acetamide is sourced from PubChem (CID 59250543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).