N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide

C17H16ClFN2O2S — CID 55916977

IUPACN-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)CCSc2ccc(F)cc2)c1
InChIInChI=1S/C17H16ClFN2O2S/c1-11(22)20-13-4-7-15(18)16(10-13)21-17(23)8-9-24-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyDZMSFPUYAIYEPY-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.56
Rot. Bonds6

About N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide

N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 55916977) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID55916977
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)CCSc2ccc(F)cc2)c1
InChIInChI=1S/C17H16ClFN2O2S/c1-11(22)20-13-4-7-15(18)16(10-13)21-17(23)8-9-24-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyDZMSFPUYAIYEPY-UHFFFAOYSA-N
XLogP4.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
1-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
CID 60609405
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
N-(5-acetamido-2-chlorophenyl)octanamide
CID 60538690
N-(5-acetamido-2-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119280748
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30282664
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide (CID 55916977) is N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide is CC(=O)Nc1ccc(Cl)c(NC(=O)CCSc2ccc(F)cc2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is DZMSFPUYAIYEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c1-11(22)20-13-4-7-15(18)16(10-13)21-17(23)8-9-24-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide?
N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 366.85 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 55916977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).