N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide

C17H15F2NO2S — CID 8837256

IUPACN-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2NO2S/c1-10(23-16-8-5-13(18)9-15(16)19)17(22)12-3-6-14(7-4-12)20-11(2)21/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyBTWIBXYMMTWIKL-SNVBAGLBSA-N
MW335.38 g/mol
LogP4.29
Rot. Bonds5

About N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide

N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide (PubChem CID 8837256) has the molecular formula C17H15F2NO2S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
PubChem CID8837256
Molecular FormulaC17H15F2NO2S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2NO2S/c1-10(23-16-8-5-13(18)9-15(16)19)17(22)12-3-6-14(7-4-12)20-11(2)21/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyBTWIBXYMMTWIKL-SNVBAGLBSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
N-[4-(2,4,6-trifluorobenzoyl)phenyl]acetamide
CID 65101340
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 43412024
4-acetamido-N-[(1R)-1-(2,4-difluorophenyl)ethyl]benzamide
CID 26172289
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide (CID 8837256) is N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide?
The InChIKey is BTWIBXYMMTWIKL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F2NO2S/c1-10(23-16-8-5-13(18)9-15(16)19)17(22)12-3-6-14(7-4-12)20-11(2)21/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide?
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide has a molecular weight of 335.38 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide is sourced from PubChem (CID 8837256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).