2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide

C17H16ClFN2O2S — CID 51235628

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H16ClFN2O2S/c1-10(17(23)21-16-8-3-12(18)9-15(16)19)24-14-6-4-13(5-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyMHMAFSYJUHPHGN-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide

2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide (PubChem CID 51235628) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
PubChem CID51235628
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C17H16ClFN2O2S/c1-10(17(23)21-16-8-3-12(18)9-15(16)19)24-14-6-4-13(5-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyMHMAFSYJUHPHGN-UHFFFAOYSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
2-(4-chlorophenyl)sulfanyl-N-(2,4-dichlorophenyl)propanamide
CID 2865382
2-(4-acetamidophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 4968943
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
(2R)-N-(4-chloro-2-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 8985849
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 881396
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide (CID 51235628) is 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide is CC(=O)Nc1ccc(SC(C)C(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide?
The InChIKey is MHMAFSYJUHPHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c1-10(17(23)21-16-8-3-12(18)9-15(16)19)24-14-6-4-13(5-7-14)20-11(2)22/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide?
2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide has a molecular weight of 366.85 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)propanamide is sourced from PubChem (CID 51235628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).