2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide

C19H20F2N2O2S — CID 55828448

IUPAC2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N(C)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H20F2N2O2S/c1-12(26-16-7-5-15(6-8-16)22-13(2)24)19(25)23(3)11-14-4-9-17(20)18(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyDDPUVCBWIFVGTO-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.06
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide

2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide (PubChem CID 55828448) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide
PubChem CID55828448
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N(C)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H20F2N2O2S/c1-12(26-16-7-5-15(6-8-16)22-13(2)24)19(25)23(3)11-14-4-9-17(20)18(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,24)
InChIKeyDDPUVCBWIFVGTO-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-difluorophenyl)sulfanyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9055715
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 24500478
2-(4-chlorophenyl)sulfanyl-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 134046656
2-amino-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentanamide
CID 54869994
4-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-N-methylbenzamide
CID 119048371
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
CID 51235628
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 87025690
(2S)-N-benzyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 39074879
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide (CID 55828448) is 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide is CC(=O)Nc1ccc(SC(C)C(=O)N(C)Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is DDPUVCBWIFVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-12(26-16-7-5-15(6-8-16)22-13(2)24)19(25)23(3)11-14-4-9-17(20)18(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide?
2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 378.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-[(3,4-difluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55828448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).